A0A087X4W1_POEFO Loading...

C-type lectin domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X4W1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 172 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	42.5	Very low	247 Å²	247	158.3 Å²	158.3	100%	1.217	83%	0.827	S	S	*	*				0	133.5	0	-89.1	152.8	61.1	0	0	108.7
2	R	38.7	Very low	42.6	Very low	238 Å²	238	152.5 Å²	152.5	90%	0.898	82%	0.82	S	S	*	*			trans	-57.5	148.2	176.4	-63.3	167.5	168.1	178	-4.5	111.9
3	V	37.6	Very low	43.5	Very low	123 Å²	123	153.1 Å²	153.1	75%	0.745	82%	0.817	S	S	*	*				-168.5	105	128.4	-168.3	0	0	0	0	107.1
4	L	42.8	Very low	44.1	Very low	144 Å²	144	154.4 Å²	154.4	75%	0.754	82%	0.819	S	S	*	*				54.9	127.4	104.1	-64.9	160.2	0	0	0	116.4
5	H	41.6	Very low	44.6	Very low	128 Å²	128	153.2 Å²	153.2	59%	0.593	82%	0.82	S	S	*	*				170	140.6	100.9	-97	-63.9	0	0	0	117
6	F	43.4	Very low	44.5	Very low	182 Å²	182	153.3 Å²	153.3	80%	0.798	82%	0.819	S	S	*	*			trans	62.1	153.9	149.6	-60.7	-60.9	0	0	0	120.5
7	S	40.3	Very low	44.7	Very low	109 Å²	109	151.7 Å²	151.7	76%	0.762	82%	0.817	S	S	*	*			cis	164.2	135	-21.1	166.4	0	0	0	0	105.3
8	A	46.8	Very low	45.1	Very low	102 Å²	102	149.1 Å²	149.1	84%	0.843	81%	0.812	S	S	*	*			trans	-176.2	142.1	146	0	0	0	0	0	111.9
9	A	43.7	Very low	45.7	Very low	90 Å²	90	146.6 Å²	146.6	74%	0.744	81%	0.813	S	S	*	*			trans	-77.6	172.7	-175.1	0	0	0	0	0	114.3
10	M	49.6	Very low	46.1	Very low	166 Å²	166	147.8 Å²	147.8	82%	0.818	82%	0.817	S	S	*	*			trans	147.8	119.4	130.6	-75.3	-63.6	-88	0	0	109.4
11	F	45.6	Very low	46.5	Very low	212 Å²	212	145 Å²	145	93%	0.93	81%	0.814	S	S	*	*				-174.8	111.7	127	-105	-77	0	0	0	108.7
12	A	43.9	Very low	47	Very low	89 Å²	89	139.9 Å²	139.9	74%	0.736	79%	0.791	S	S	*	*			trans	-67.6	162.1	167.3	0	0	0	0	0	110.6
13	M	53.9	Low	47.4	Very low	160 Å²	160	134.6 Å²	134.6	79%	0.788	79%	0.787	S	S	*	*			trans	-173.5	108.2	140.5	-89	-90.7	-106.1	0	0	111.1
14	M	51.5	Low	48.2	Very low	171 Å²	171	136.8 Å²	136.8	84%	0.842	79%	0.789	S	S	*	*			trans	59.6	114.2	132.7	-58	-177.1	-174.7	0	0	121.1
15	V	52.1	Low	48.4	Very low	137 Å²	137	134.9 Å²	134.9	83%	0.83	79%	0.794	S	S	*	*			trans	-90.9	134.8	158.6	-179.1	0	0	0	0	108.6
16	L	42.2	Very low	48.8	Very low	155 Å²	155	136.2 Å²	136.2	81%	0.812	81%	0.806	S	S	*	*			trans	172.1	106.4	151.8	-99.8	147.7	0	0	0	110.1
17	T	48.1	Very low	49.1	Very low	126 Å²	126	132.3 Å²	132.3	77%	0.773	80%	0.801	S	S	*	*				148	150	108.2	44.7	0	0	0	0	105
18	S	53.1	Low	49.2	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	80%	0.8	S	S	*	*			cis	-160.4	141.6	15.1	24.4	0	0	0	0	106.6
19	A	56.3	Low	49.4	Very low	102 Å²	102	135.9 Å²	135.9	84%	0.843	80%	0.8	S	S	*	*			trans	-72	125.7	170.5	0	0	0	0	0	109.8
20	L	53.9	Low	49.4	Very low	171 Å²	171	140.1 Å²	140.1	90%	0.895	81%	0.805	S	S	*	*			trans	-127.5	122.2	155.9	-76.4	174.6	0	0	0	107.5
21	A	54.4	Low	48.8	Very low	90 Å²	90	135.3 Å²	135.3	74%	0.744	80%	0.798	S	S	*	*			trans	-91	148.2	-173.7	0	0	0	0	0	111.3
22	L	47.9	Very low	48.9	Very low	139 Å²	139	134 Å²	134	73%	0.728	79%	0.794	S	S	*	*			trans	76.1	145.8	152.7	-63.8	-176.6	0	0	0	117.8	E24	L22-E24 HydrophobicContact CD2-CG 4.17Å
23	P	47.3	Very low	49.1	Very low	127 Å²	127	136.6 Å²	136.6	83%	0.825	80%	0.795	S	S	*	*			cis	-127.5	152.3	42.7	31.2	-11.2	0	0	0	117.9	A25	P23-A25 PolarHBondContact O-N 3.47Å
24	E	53.2	Low	49.3	Very low	168 Å²	168	132.8 Å²	132.8	79%	0.785	79%	0.789	S	S	*	*			trans	-59.5	122.3	167.5	-68.4	170.9	152.8	0	0	110.5	L22 N26	L22-E24 HydrophobicContact CD2-CG 4.17Å; E24-N26 PolarHBondContact O-N 3.27Å
25	A	48.3	Very low	49.5	Very low	105 Å²	105	133.4 Å²	133.4	87%	0.868	79%	0.787	S	S	*	*			trans	-79.6	107.3	170.2	0	0	0	0	0	109.6	P23	P23-A25 PolarHBondContact O-N 3.47Å
26	N	49.5	Very low	49.8	Very low	156 Å²	156	131 Å²	131	83%	0.834	78%	0.776	S	S	*	*			trans	-27.1	131.5	170.2	-85.2	-40.4	0	0	0	117.5	E24 A28	E24-N26 PolarHBondContact O-N 3.27Å; N26-A28 PolarHBondContact O-N 2.91Å
27	S	49.1	Very low	50.4	Low	100 Å²	100	131 Å²	131	70%	0.699	78%	0.777	S	S	*	*			trans	-19	106.6	147.7	165.5	0	0	0	0	115.3
28	A	43.2	Very low	50.9	Low	88 Å²	88	132 Å²	132	73%	0.727	78%	0.777	S	S	*	*			trans	-94.1	99.2	153.9	0	0	0	0	0	109	N26 Q30	N26-A28 PolarHBondContact O-N 2.91Å; A28-Q30 VanDerWaalsContact C-N 3.34Å; A28-Q30 PolarHBondContact O-N 2.78Å
29	K	51.1	Low	51.1	Low	198 Å²	198	132.9 Å²	132.9	86%	0.861	78%	0.778	S	S	*	*			trans	-69	93.8	161.1	-73.7	-172.3	178.1	-176.2	0	107.7	G31	K29-G31 PolarHBondContact O-N 2.97Å
30	Q	43.5	Very low	50.8	Low	178 Å²	178	137.4 Å²	137.4	83%	0.832	78%	0.778	S	S	*	*			trans	-86.2	105.6	162.9	-151.1	93.4	2.2	0	0	107	A28 H32	A28-Q30 VanDerWaalsContact C-N 3.34Å; A28-Q30 PolarHBondContact O-N 2.78Å; Q30-H32 PolarHBondContact O-N 2.84Å
31	G	37.6	Very low	50.9	Low	66 Å²	66	137.6 Å²	137.6	68%	0.68	77%	0.767	S	S	*	*			trans	-50.9	134.5	179	0	0	0	0	0	111.8	K29 L33	K29-G31 PolarHBondContact O-N 2.97Å; G31-L33 PolarHBondContact O-N 3.42Å
32	H	47.4	Very low	51.1	Low	184 Å²	184	136.5 Å²	136.5	85%	0.852	75%	0.754	S	S	*	*			trans	-63.2	90.1	163.2	-171.4	84.3	0	0	0	107.1	Q30 A34	Q30-H32 PolarHBondContact O-N 2.84Å; H32-A34 VanDerWaalsContact C-N 3.33Å; H32-A34 PolarHBondContact O-N 3.24Å
33	L	47.5	Very low	52.1	Low	144 Å²	144	134.2 Å²	134.2	75%	0.754	75%	0.746	S	S	*	*			trans	-62.3	103.2	165	-175.3	71.2	0	0	0	105.4	G31 K35	G31-L33 PolarHBondContact O-N 3.42Å; L33-K35 VanDerWaalsContact C-N 3.25Å; L33-K35 PolarHBondContact O-N 3.06Å
34	A	58.2	Low	54	Low	80 Å²	80	132.9 Å²	132.9	66%	0.661	73%	0.732	S	S	*	*			trans	-50.6	97.6	164.3	0	0	0	0	0	107	H32 S36	H32-A34 VanDerWaalsContact C-N 3.33Å; H32-A34 PolarHBondContact O-N 3.24Å; A34-S36 PolarHBondContact O-N 3.47Å
35	K	56.3	Low	55.9	Low	183 Å²	183	126.4 Å²	126.4	80%	0.796	71%	0.705	S	S	*	*			trans	-69.7	95.9	166.9	-85.2	-174.5	176.7	178.6	0	104.8	L33 D37	L33-K35 VanDerWaalsContact C-N 3.25Å; L33-K35 PolarHBondContact O-N 3.06Å; K35-D37 PolarHBondContact O-N 2.93Å
36	S	57	Low	58.2	Low	86 Å²	86	123.6 Å²	123.6	60%	0.601	68%	0.678	S	S	*	*			trans	-1.9	113.4	162.3	58.9	0	0	0	0	113.3	A34 L38	A34-S36 PolarHBondContact O-N 3.47Å; S36-L38 PolarHBondContact O-N 2.73Å
37	D	55.8	Low	60.2	Low	156 Å²	156	125.2 Å²	125.2	83%	0.834	68%	0.68	S	S	*	*			trans	-61.8	59.6	158.1	-65.4	-54.5	0	0	0	110.4	K35 V39	K35-D37 PolarHBondContact O-N 2.93Å; D37-V39 PolarHBondContact O-N 3.38Å
38	L	57.8	Low	62.3	Low	147 Å²	147	122.6 Å²	122.6	77%	0.77	67%	0.668	S	S	*	*			trans	-68.1	92	148.1	-64.6	-178.7	0	0	0	103.4	S36 K40	S36-L38 PolarHBondContact O-N 2.73Å; L38-K40 PolarHBondContact O-N 2.8Å
39	V	58	Low	64.9	Low	122 Å²	122	119.6 Å²	119.6	74%	0.739	64%	0.638	S	S	*	*			trans	-50	89.1	171.8	177.1	0	0	0	0	106.6	D37 R41	D37-V39 PolarHBondContact O-N 3.38Å; V39-R41 HydrophobicContact CG1-CB 4.4Å; V39-R41 PolarHBondContact O-N 2.65Å
40	K	50.8	Low	67	Low	197 Å²	197	113.1 Å²	113.1	86%	0.857	62%	0.615	S	S	*	*			trans	-67.9	86.3	157.3	-172.8	-178.2	-174.1	-174.1	0	101.9	L38 S42	L38-K40 PolarHBondContact O-N 2.8Å; K40-S42 PolarHBondContact O-N 3.02Å
41	R	55.4	Low	69.5	Low	176 Å²	176	107 Å²	107	66%	0.664	60%	0.601	S	S	*	*			trans	-45.8	99.2	170.5	-168.5	172.8	-177	-166.5	-9.2	104.2	V39 T43 T172	V39-R41 HydrophobicContact CG1-CB 4.4Å; V39-R41 PolarHBondContact O-N 2.65Å; R41-T43 PolarHBondContact O-N 2.75Å; R41-T172 PolarHBondContact NE-OXT 3.2Å; R41-T172 PolarHBondContact NH2-OXT 2.61Å
42	S	58.3	Low	72.2	Confident	66 Å²	66	106 Å²	106	46%	0.462	58%	0.577	S	S	.	*			trans	-62	118.6	178.9	52.7	0	0	0	0	103.1	K40 D44	K40-S42 PolarHBondContact O-N 3.02Å; S42-D44 VanDerWaalsContact CB-OD2 3.32Å; S42-D44 WeakPolarHBondContact CB-OD2 3.47Å; S42-D44 PolarHBondContact O-N 2.73Å; S42-D44 PolarHBondContact OG-OD2 2.89Å
43	T	67.9	Low	74.3	Confident	92 Å²	92	102.3 Å²	102.3	56%	0.564	56%	0.564	S	S	*	*			trans	-69.1	70.1	176.2	3.6	0	0	0	0	107.1	R41 A171 T172	R41-T43 PolarHBondContact O-N 2.75Å; T43-A171 HydrophobicContact CG2-CB 3.51Å; T43-T172 WeakPolarHBondContact CA-O 3.47Å
44	D	87.4	Confident	76.5	Confident	98 Å²	98	97.3 Å²	97.3	52%	0.524	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-93.7	136.7	-173.8	-77.1	-18.8	0	0	0	108.5	S42 T172	S42-D44 VanDerWaalsContact CB-OD2 3.32Å; S42-D44 WeakPolarHBondContact CB-OD2 3.47Å; S42-D44 PolarHBondContact O-N 2.73Å; S42-D44 PolarHBondContact OG-OD2 2.89Å; D44-T172 PolarHBondContact O-OG1 2.69Å; D44-T172 VanDerWaalsContact O-OG1 3.14Å
45	C	94.8	Very high	78.3	Confident	32 Å²	32	94.9 Å²	94.9	22%	0.216	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-86.2	142	175.5	-70.1	0	0	0	0	110.1	W49 G51 C56	C45-W49 HydrophobicContact CB-CB 3.91Å; C45-G51 WeakPolarHBondContact SG-CA 3.32Å; C45-C56 WeakPolarHBondContact CA-SG 3.42Å; C45-C56 HydrophobicContact CB-CB 3.81Å; C45-C56 WeakPolarHBondContact CB-SG 3.02Å; C45-C56 WeakPolarHBondContact SG-CA 3.33Å; C45-C56 WeakPolarHBondContact SG-CB 3.38Å; C45-C56 CovalentContact SG-SG 2.03Å; C45-C56 PolarHBondContact SG-SG 2.56Å
46	P	94.6	Very high	80.3	Confident	47 Å²	47	86.2 Å²	86.2	31%	0.305	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-58	155.6	174.9	-25.6	36.2	0	0	0	111.5	G48 W49	P46-G48 PolarHBondContact O-N 3.14Å; P46-W49 VanDerWaalsContact O-CB 3.29Å; P46-W49 WeakPolarHBondContact O-CB 3.32Å; P46-W49 VanDerWaalsContact O-CD1 3.32Å; P46-W49 PolarHBondContact O-N 2.63Å
47	H	93.3	Very high	82.2	Confident	190 Å²	190	82.3 Å²	82.3	88%	0.88	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	133.4	178.6	180	-88.5	0	0	0	112.3
48	G	93.3	Very high	84.3	Confident	44 Å²	44	79.1 Å²	79.1	45%	0.454	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	14.6	-176.3	0	0	0	0	0	114.7	P46 R58	P46-G48 PolarHBondContact O-N 3.14Å; G48-R58 WeakPolarHBondContact O-CD 3.42Å; G48-R58 WeakPolarHBondContact O-CG 3.02Å
49	W	96.9	Very high	86.2	Confident	25 Å²	25	73.1 Å²	73.1	10%	0.095	40%	0.399	C	S	.	.			trans	-116.8	140.4	169.5	-64.2	74	0	0	0	110.1	C45 P46 C56 F57 R58 M76 A78 C167 K169	C45-W49 HydrophobicContact CB-CB 3.91Å; P46-W49 VanDerWaalsContact O-CB 3.29Å; P46-W49 WeakPolarHBondContact O-CB 3.32Å; P46-W49 VanDerWaalsContact O-CD1 3.32Å; P46-W49 PolarHBondContact O-N 2.63Å; W49-C56 HydrophobicContact CB-CB 4.08Å; W49-C56 HydrophobicContact CD2-CB 4.42Å; W49-C56 HydrophobicContact CE3-CB 3.95Å; W49-C56 VanDerWaalsContact CE3-O 3.27Å; W49-C56 WeakPolarHBondContact CZ3-O 3.36Å; W49-F57 CarbonylContact C-O 3.59Å; W49-F57 WeakPolarHBondContact CA-O 3.35Å; W49-R58 HydrophobicContact CD2-CB 3.68Å; W49-R58 HydrophobicContact CE3-CB 3.5Å; W49-R58 HydrophobicContact CG-CB 4.3Å; W49-R58 HydrophobicContact CH2-CB 4.04Å; W49-R58 HydrophobicContact CZ2-CB 4.22Å; W49-R58 HydrophobicContact CZ3-CB 3.7Å; W49-M76 HydrophobicContact CZ2-CB 4.01Å; W49-M76 HydrophobicContact CZ2-CE 4.5Å; W49-M76 HydrophobicContact CZ2-SD 4.19Å; W49-A78 HydrophobicContact CH2-CB 3.48Å; W49-A78 VanDerWaalsContact CH2-CB 3.48Å; W49-A78 HydrophobicContact CZ2-CB 4.42Å; W49-A78 HydrophobicContact CZ3-CB 4.08Å; W49-C167 HydrophobicContact CH2-CB 3.8Å; W49-C167 HydrophobicContact CZ3-CB 3.99Å; W49-K169 HydrophobicContact CE3-CG 4.21Å; W49-K169 HydrophobicContact CH2-CD 4.22Å; W49-K169 HydrophobicContact CH2-CG 4.35Å; W49-K169 HydrophobicContact CZ2-CD 4.35Å; W49-K169 HydrophobicContact CZ3-CD 4.32Å; W49-K169 HydrophobicContact CZ3-CG 3.98Å
50	T	95.6	Very high	88.1	Confident	62 Å²	62	68.1 Å²	68.1	38%	0.38	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.5	177.1	-60	0	0	0	0	109.3	C56 F57	T50-C56 WeakPolarHBondContact O-CA 3.22Å; T50-F57 PolarHBondContact N-O 3.42Å; T50-F57 PolarHBondContact O-N 3.08Å
51	G	95.3	Very high	90.4	Very high	51 Å²	51	63 Å²	63	53%	0.526	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.6	178.8	0	0	0	0	0	112.9	C45 R55	C45-G51 WeakPolarHBondContact SG-CA 3.32Å; G51-R55 WeakPolarHBondContact CA-O 3.4Å
52	F	94.4	Very high	92.4	Very high	44 Å²	44	61.4 Å²	61.4	19%	0.193	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	131.1	173.2	-177.8	-107.2	0	0	0	110	G54 R55 F57 E87 E91	F52-G54 VanDerWaalsContact C-N 3.28Å; F52-G54 PolarHBondContact O-N 2.69Å; F52-G54 VanDerWaalsContact O-N 3.12Å; F52-R55 PolarHBondContact N-O 3.49Å; F52-R55 WeakPolarHBondContact O-CA 3.49Å; F52-R55 WeakPolarHBondContact O-CB 3.4Å; F52-R55 PolarHBondContact O-N 2.97Å; F52-R55 VanDerWaalsContact O-O 3.06Å; F52-F57 HydrophobicContact CB-CD2 4.33Å; F52-F57 HydrophobicContact CB-CE2 4.07Å; F52-F57 HydrophobicContact CD1-CE2 4.5Å; F52-E87 HydrophobicContact CE1-CB 3.77Å; F52-E87 HydrophobicContact CZ-CB 3.6Å; F52-E91 HydrophobicContact CB-CG 4.31Å; F52-E91 HydrophobicContact CD1-CB 4.24Å; F52-E91 HydrophobicContact CD1-CG 3.93Å; F52-E91 HydrophobicContact CD2-CG 3.66Å; F52-E91 HydrophobicContact CE1-CG 4.18Å; F52-E91 HydrophobicContact CE2-CG 3.93Å; F52-E91 HydrophobicContact CG-CB 4.22Å; F52-E91 HydrophobicContact CG-CG 3.68Å; F52-E91 HydrophobicContact CZ-CG 4.21Å
53	N	92.1	Very high	94.4	Very high	106 Å²	106	61.9 Å²	61.9	57%	0.567	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	41.5	177.9	-72.9	-7.1	0	0	0	115.6	R55	N53-R55 PolarHBondContact O-N 3.34Å
54	G	93.8	Very high	95.8	Very high	40 Å²	40	58.4 Å²	58.4	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.9	13.8	-179.4	0	0	0	0	0	114.4	F52 A171	F52-G54 VanDerWaalsContact C-N 3.28Å; F52-G54 PolarHBondContact O-N 2.69Å; F52-G54 VanDerWaalsContact O-N 3.12Å; G54-A171 VanDerWaalsContact O-CB 3.32Å; G54-A171 WeakPolarHBondContact O-CB 3.41Å; G54-A171 PolarHBondContact O-N 2.8Å
55	R	95.9	Very high	96.4	Very high	29 Å²	29	54.7 Å²	54.7	11%	0.109	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	153.4	174.7	-55	174.1	73.8	-156.2	2.4	109.1	G51 F52 N53 F57 S82 H84 D88 V168 K169	G51-R55 WeakPolarHBondContact CA-O 3.4Å; F52-R55 PolarHBondContact N-O 3.49Å; F52-R55 WeakPolarHBondContact O-CA 3.49Å; F52-R55 WeakPolarHBondContact O-CB 3.4Å; F52-R55 PolarHBondContact O-N 2.97Å; F52-R55 VanDerWaalsContact O-O 3.06Å; N53-R55 PolarHBondContact O-N 3.34Å; R55-F57 HydrophobicContact CB-CD2 4.46Å; R55-F57 HydrophobicContact CB-CE2 3.65Å; R55-F57 HydrophobicContact CB-CZ 3.91Å; R55-S82 PolarHBondContact NH1-O 2.88Å; R55-S82 PolarHBondContact NH2-O 3Å; R55-S82 PolarHBondContact NH2-OG 2.71Å; R55-H84 PolarHBondContact NH1-CD2 3.11Å; R55-H84 VanDerWaalsContact NH1-CD2 3.34Å; R55-H84 PolarHBondContact NH2-NE2 3.36Å; R55-D88 IonicContact CZ-OD2 3.92Å; R55-D88 IonicContact NH1-OD1 3.17Å; R55-D88 PolarHBondContact NH1-OD1 3Å; R55-D88 IonicContact NH1-OD2 2.71Å; R55-D88 PolarHBondContact NH1-OD2 3.4Å; R55-V168 HydrophobicContact CB-CG2 4.1Å; R55-K169 CarbonylContact C-O 3.56Å; R55-K169 WeakPolarHBondContact CA-O 2.95Å
56	C	97.4	Very high	96.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.9	-179.9	-60.4	0	0	0	0	108.7	C45 W49 T50 V168 K169 A171	C45-C56 WeakPolarHBondContact CA-SG 3.42Å; C45-C56 HydrophobicContact CB-CB 3.81Å; C45-C56 WeakPolarHBondContact CB-SG 3.02Å; C45-C56 WeakPolarHBondContact SG-CA 3.33Å; C45-C56 WeakPolarHBondContact SG-CB 3.38Å; C45-C56 CovalentContact SG-SG 2.03Å; C45-C56 PolarHBondContact SG-SG 2.56Å; W49-C56 HydrophobicContact CB-CB 4.08Å; W49-C56 HydrophobicContact CD2-CB 4.42Å; W49-C56 HydrophobicContact CE3-CB 3.95Å; W49-C56 VanDerWaalsContact CE3-O 3.27Å; W49-C56 WeakPolarHBondContact CZ3-O 3.36Å; T50-C56 WeakPolarHBondContact O-CA 3.22Å; C56-V168 CarbonylContact O-C 3.6Å; C56-V168 VanDerWaalsContact O-CA 3.3Å; C56-V168 WeakPolarHBondContact O-CA 3.07Å; C56-K169 HydrophobicContact CB-CG 3.97Å; C56-K169 PolarHBondContact N-O 3.01Å; C56-K169 PolarHBondContact O-N 2.98Å; C56-A171 VanDerWaalsContact SG-CA 3.57Å
57	F	98.2	Very high	96.7	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.018	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	148	-178.5	-59.8	-91.1	0	0	0	111.3	W49 T50 F52 R55 A81 I92 L95 V166 C167 V168	W49-F57 CarbonylContact C-O 3.59Å; W49-F57 WeakPolarHBondContact CA-O 3.35Å; T50-F57 PolarHBondContact N-O 3.42Å; T50-F57 PolarHBondContact O-N 3.08Å; F52-F57 HydrophobicContact CB-CD2 4.33Å; F52-F57 HydrophobicContact CB-CE2 4.07Å; F52-F57 HydrophobicContact CD1-CE2 4.5Å; R55-F57 HydrophobicContact CB-CD2 4.46Å; R55-F57 HydrophobicContact CB-CE2 3.65Å; R55-F57 HydrophobicContact CB-CZ 3.91Å; F57-A81 HydrophobicContact CD1-CB 4.35Å; F57-A81 HydrophobicContact CE1-CB 4.5Å; F57-I92 HydrophobicContact CD1-CD1 4.34Å; F57-I92 HydrophobicContact CD1-CG1 3.96Å; F57-I92 HydrophobicContact CE1-CD1 4Å; F57-I92 HydrophobicContact CE1-CG1 4.02Å; F57-L95 HydrophobicContact CB-CD2 3.79Å; F57-V166 HydrophobicContact CB-CG1 4.31Å; F57-V166 HydrophobicContact CD1-CG1 4.34Å; F57-C167 CarbonylContact C-O 3.42Å; F57-C167 VanDerWaalsContact CA-O 3.28Å; F57-C167 WeakPolarHBondContact CA-O 3.21Å; F57-V168 HydrophobicContact CD1-CB 3.94Å; F57-V168 HydrophobicContact CD1-CG2 3.65Å; F57-V168 HydrophobicContact CE1-CB 3.97Å; F57-V168 HydrophobicContact CE1-CG2 3.4Å; F57-V168 VanDerWaalsContact CE1-CG2 3.4Å; F57-V168 HydrophobicContact CE2-CG2 4.43Å; F57-V168 HydrophobicContact CG-CG2 4.29Å; F57-V168 HydrophobicContact CZ-CG2 3.84Å
58	R	98.3	Very high	97	Very high	89 Å²	89	53.6 Å²	53.6	34%	0.336	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	126	175.3	-177.6	171.9	-178.7	149.9	-3	111.3	G48 W49 I60 V166 C167	G48-R58 WeakPolarHBondContact O-CD 3.42Å; G48-R58 WeakPolarHBondContact O-CG 3.02Å; W49-R58 HydrophobicContact CD2-CB 3.68Å; W49-R58 HydrophobicContact CE3-CB 3.5Å; W49-R58 HydrophobicContact CG-CB 4.3Å; W49-R58 HydrophobicContact CH2-CB 4.04Å; W49-R58 HydrophobicContact CZ2-CB 4.22Å; W49-R58 HydrophobicContact CZ3-CB 3.7Å; R58-I60 HydrophobicContact CG-CD1 3.95Å; R58-V166 CarbonylContact O-C 3.59Å; R58-V166 WeakPolarHBondContact O-CA 3.37Å; R58-C167 PolarHBondContact N-O 2.77Å; R58-C167 PolarHBondContact O-N 3.22Å
59	Y	98.6	Very high	97.2	Very high	21 Å²	21	51.5 Å²	51.5	8%	0.082	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133.6	171.7	177.9	-107.1	0	0	0	110.7	P61 I96 A99 T106 P164 S165 V166	Y59-P61 HydrophobicContact CD1-CB 4.38Å; Y59-P61 HydrophobicContact CE1-CB 3.78Å; Y59-I96 HydrophobicContact CD2-CG1 3.91Å; Y59-I96 HydrophobicContact CE2-CG1 4.14Å; Y59-I96 HydrophobicContact CE2-CG2 4.27Å; Y59-A99 HydrophobicContact CD1-CB 3.41Å; Y59-A99 VanDerWaalsContact CD1-CB 3.41Å; Y59-A99 HydrophobicContact CE1-CB 4.02Å; Y59-A99 HydrophobicContact CG-CB 4.05Å; Y59-T106 HydrophobicContact CD2-CG2 4.25Å; Y59-T106 HydrophobicContact CE2-CG2 3.96Å; Y59-P164 HydrophobicContact CE2-CB 3.6Å; Y59-P164 VanDerWaalsContact OH-CB 3.25Å; Y59-P164 WeakPolarHBondContact OH-CB 3.35Å; Y59-P164 WeakPolarHBondContact OH-CG 3.25Å; Y59-S165 WeakPolarHBondContact CD2-O 3.47Å; Y59-V166 HydrophobicContact CD2-CG2 4.08Å
60	I	98.6	Very high	97.3	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.087	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	104.9	178.5	-53.5	-58.8	0	0	0	107.6	R58 K62 M76 P164 S165	R58-I60 HydrophobicContact CG-CD1 3.95Å; I60-K62 VanDerWaalsContact C-N 3.27Å; I60-K62 HydrophobicContact CG2-CB 4.5Å; I60-K62 PolarHBondContact O-N 2.56Å; I60-M76 HydrophobicContact CD1-CE 3.85Å; I60-M76 HydrophobicContact CG1-CE 4.41Å; I60-P164 WeakPolarHBondContact O-CA 3.47Å; I60-P164 WeakPolarHBondContact O-CB 3.26Å; I60-S165 PolarHBondContact N-O 3.01Å; I60-S165 PolarHBondContact O-N 2.93Å; I60-S165 VanDerWaalsContact O-N 3.08Å
61	P	98.1	Very high	97.5	Very high	89 Å²	89	55 Å²	55	58%	0.578	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72	-20.6	-172.8	26.7	-34.6	0	0	0	113.5	Y59 P63	Y59-P61 HydrophobicContact CD1-CB 4.38Å; Y59-P61 HydrophobicContact CE1-CB 3.78Å; P61-P63 VanDerWaalsContact O-CD 3.25Å; P61-P63 WeakPolarHBondContact O-CD 3.38Å
62	K	98.4	Very high	97.7	Very high	143 Å²	143	54.7 Å²	54.7	62%	0.622	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	118.8	-176.7	179.1	170.6	173.6	-177.2	0	110.1	I60 M64	I60-K62 VanDerWaalsContact C-N 3.27Å; I60-K62 HydrophobicContact CG2-CB 4.5Å; I60-K62 PolarHBondContact O-N 2.56Å; K62-M64 HydrophobicContact CB-CE 4.06Å; K62-M64 HydrophobicContact CD-CE 3.56Å; K62-M64 HydrophobicContact CG-CE 3.75Å; K62-M64 HydrophobicContact CG-CG 4.47Å; K62-M64 PolarHBondContact O-N 2.77Å
63	P	98.6	Very high	97.9	Very high	76 Å²	76	52.6 Å²	52.6	49%	0.494	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	132	179.8	-21.7	35	0	0	0	112.4	P61 H162 K163	P61-P63 VanDerWaalsContact O-CD 3.25Å; P61-P63 WeakPolarHBondContact O-CD 3.38Å; P63-H162 HydrophobicContact CB-CB 3.89Å; P63-K163 WeakPolarHBondContact CA-O 3.29Å
64	M	98.7	Very high	98.2	Very high	20 Å²	20	52.2 Å²	52.2	10%	0.099	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	156.8	-179.2	-64.5	-172.2	-163.2	0	0	110.5	K62 R68 A69 N72 W107 H162 K163	K62-M64 HydrophobicContact CB-CE 4.06Å; K62-M64 HydrophobicContact CD-CE 3.56Å; K62-M64 HydrophobicContact CG-CE 3.75Å; K62-M64 HydrophobicContact CG-CG 4.47Å; K62-M64 PolarHBondContact O-N 2.77Å; M64-R68 HydrophobicContact CB-CB 3.94Å; M64-R68 HydrophobicContact CG-CB 4.46Å; M64-R68 HydrophobicContact SD-CB 4.28Å; M64-A69 HydrophobicContact CB-CB 4.1Å; M64-N72 HydrophobicContact CE-CB 4.24Å; M64-N72 HydrophobicContact SD-CB 3.92Å; M64-W107 PolarHBondContact O-NE1 2.03Å; M64-H162 WeakPolarHBondContact O-CA 3.28Å; M64-K163 PolarHBondContact N-O 2.99Å; M64-K163 PolarHBondContact O-N 3Å
65	S	98.6	Very high	98.4	Very high	19 Å²	19	54.8 Å²	54.8	13%	0.133	28%	0.276	C	S	.	.			trans	-62.2	155.3	163.3	62.3	0	0	0	0	109.3	A67 R68 A69 C159 H161 H162	S65-A67 VanDerWaalsContact C-N 3.28Å; S65-A67 PolarHBondContact O-N 3.31Å; S65-R68 PolarHBondContact O-N 3.12Å; S65-R68 WeakPolarHBondContact OG-CB 3.42Å; S65-R68 WeakPolarHBondContact OG-CG 3.38Å; S65-A69 PolarHBondContact O-N 2.88Å; S65-C159 WeakPolarHBondContact CB-O 3.27Å; S65-H161 WeakPolarHBondContact CA-O 3.49Å; S65-H162 PolarHBondContact N-CD2 3.1Å
66	W	98.6	Very high	98.5	Very high	34 Å²	34	56 Å²	56	13%	0.129	28%	0.283	C	S	.	.	H	α-helix	trans	-53.6	-46.8	-176.7	-173.8	98.6	0	0	0	111.6	R68 A69 E70 L80 W107 I108 C145 C159	W66-R68 VanDerWaalsContact C-N 3.33Å; W66-R68 PolarHBondContact O-N 3.28Å; W66-A69 WeakPolarHBondContact O-CB 3.49Å; W66-A69 PolarHBondContact O-N 3.37Å; W66-A69 VanDerWaalsContact O-N 3.13Å; W66-E70 HydrophobicContact CZ3-CB 4.26Å; W66-E70 HydrophobicContact CZ3-CG 4.49Å; W66-E70 PolarHBondContact O-N 3.43Å; W66-L80 HydrophobicContact CD2-CD1 3.88Å; W66-L80 VanDerWaalsContact CE2-CD1 3.46Å; W66-L80 HydrophobicContact CG-CD1 4.12Å; W66-L80 HydrophobicContact CZ2-CD1 3.85Å; W66-W107 HydrophobicContact CB-CD2 4.35Å; W66-I108 PolarHBondContact NE1-O 3.34Å; W66-C145 HydrophobicContact CB-CB 3.95Å; W66-C145 VanDerWaalsContact CB-SG 3.52Å; W66-C145 HydrophobicContact CD2-CB 4.47Å; W66-C145 HydrophobicContact CG-CB 3.75Å; W66-C159 HydrophobicContact CB-CB 4.31Å; W66-C159 PolarHBondContact N-O 3.31Å
67	A	98.4	Very high	98.5	Very high	54 Å²	54	58.9 Å²	58.9	45%	0.446	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-32.9	178.4	0	0	0	0	0	113.9	S65 K71	S65-A67 VanDerWaalsContact C-N 3.28Å; S65-A67 PolarHBondContact O-N 3.31Å; A67-K71 WeakPolarHBondContact O-CG 3.32Å; A67-K71 PolarHBondContact O-N 2.85Å
68	R	98.8	Very high	98.6	Very high	158 Å²	158	58.9 Å²	58.9	60%	0.596	31%	0.314	S	S	*	.	H	α-helix	trans	-74.7	-36.2	174.6	-78.2	178.8	176.4	169.3	-1.2	111.3	M64 S65 W66 N72	M64-R68 HydrophobicContact CB-CB 3.94Å; M64-R68 HydrophobicContact CG-CB 4.46Å; M64-R68 HydrophobicContact SD-CB 4.28Å; S65-R68 PolarHBondContact O-N 3.12Å; S65-R68 WeakPolarHBondContact OG-CB 3.42Å; S65-R68 WeakPolarHBondContact OG-CG 3.38Å; W66-R68 VanDerWaalsContact C-N 3.33Å; W66-R68 PolarHBondContact O-N 3.28Å; R68-N72 WeakPolarHBondContact O-CB 3.44Å; R68-N72 PolarHBondContact O-N 3.02Å
69	A	98.9	Very high	98.6	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-43.4	175.8	0	0	0	0	0	111.3	M64 S65 W66 N72 C73 L80	M64-A69 HydrophobicContact CB-CB 4.1Å; S65-A69 PolarHBondContact O-N 2.88Å; W66-A69 WeakPolarHBondContact O-CB 3.49Å; W66-A69 PolarHBondContact O-N 3.37Å; W66-A69 VanDerWaalsContact O-N 3.13Å; A69-N72 WeakPolarHBondContact O-CB 3.44Å; A69-N72 PolarHBondContact O-N 3.07Å; A69-C73 PolarHBondContact O-N 2.67Å; A69-C73 PolarHBondContact O-SG 2.82Å; A69-C73 VanDerWaalsContact O-SG 3.35Å; A69-L80 HydrophobicContact CB-CD1 4.42Å; A69-L80 HydrophobicContact CB-CD2 3.97Å
70	E	98.9	Very high	98.6	Very high	11 Å²	11	55.8 Å²	55.8	5%	0.051	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-53	173	180	54.3	-141.1	0	0	111.4	W66 N72 C73 Q74 N79 L80 S122	W66-E70 HydrophobicContact CZ3-CB 4.26Å; W66-E70 HydrophobicContact CZ3-CG 4.49Å; W66-E70 PolarHBondContact O-N 3.43Å; E70-N72 PolarHBondContact O-N 2.93Å; E70-C73 WeakPolarHBondContact O-CA 3.07Å; E70-C73 WeakPolarHBondContact O-CB 3.38Å; E70-C73 PolarHBondContact O-N 2.88Å; E70-Q74 WeakPolarHBondContact O-CG 3.38Å; E70-Q74 PolarHBondContact O-N 3.35Å; E70-Q74 WeakPolarHBondContact OE1-CG 3.17Å; E70-Q74 PolarHBondContact OE1-NE2 2.72Å; E70-N79 PolarHBondContact OE1-OD1 3.3Å; E70-L80 HydrophobicContact CB-CD1 3.87Å; E70-L80 HydrophobicContact CB-CG 4.19Å; E70-L80 VanDerWaalsContact OE2-CB 3.24Å; E70-L80 WeakPolarHBondContact OE2-CB 3.12Å; E70-L80 VanDerWaalsContact OE2-CG 3.28Å; E70-L80 WeakPolarHBondContact OE2-CG 3.17Å; E70-L80 PolarHBondContact OE2-N 2.95Å; E70-S122 WeakPolarHBondContact OE2-CB 3.44Å; E70-S122 PolarHBondContact OE2-OG 2.65Å
71	K	98.8	Very high	98.6	Very high	149 Å²	149	55 Å²	55	65%	0.648	30%	0.301	S	S	*	.	H	α-helix	trans	-56.4	-37.3	175.7	-75	179.3	177.9	-175.7	0	113	A67 Q74 S75	A67-K71 WeakPolarHBondContact O-CG 3.32Å; A67-K71 PolarHBondContact O-N 2.85Å; K71-Q74 PolarHBondContact O-N 3.07Å; K71-S75 PolarHBondContact O-N 3.05Å
72	N	98.9	Very high	98.6	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	27%	0.273	C	S	.	.	H	α-helix	trans	-64.8	-44.5	175.2	179.6	85.8	0	0	0	111.3	M64 R68 A69 E70 S75 M76	M64-N72 HydrophobicContact CE-CB 4.24Å; M64-N72 HydrophobicContact SD-CB 3.92Å; R68-N72 WeakPolarHBondContact O-CB 3.44Å; R68-N72 PolarHBondContact O-N 3.02Å; A69-N72 WeakPolarHBondContact O-CB 3.44Å; A69-N72 PolarHBondContact O-N 3.07Å; E70-N72 PolarHBondContact O-N 2.93Å; N72-S75 PolarHBondContact O-N 2.89Å; N72-S75 PolarHBondContact O-OG 3.2Å; N72-M76 WeakPolarHBondContact O-CE 3.22Å
73	C	98.9	Very high	98.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-44.6	173.9	-62.3	0	0	0	0	111.8	A69 E70 S75 M76 A78 N79 C167	A69-C73 PolarHBondContact O-N 2.67Å; A69-C73 PolarHBondContact O-SG 2.82Å; A69-C73 VanDerWaalsContact O-SG 3.35Å; E70-C73 WeakPolarHBondContact O-CA 3.07Å; E70-C73 WeakPolarHBondContact O-CB 3.38Å; E70-C73 PolarHBondContact O-N 2.88Å; C73-S75 VanDerWaalsContact C-N 3.29Å; C73-S75 PolarHBondContact O-N 2.81Å; C73-M76 WeakPolarHBondContact O-CA 3.49Å; C73-M76 PolarHBondContact O-N 2.77Å; C73-A78 CarbonylContact C-O 3.16Å; C73-A78 HydrophobicContact CB-CB 4.33Å; C73-A78 CarbonylContact O-C 3.53Å; C73-A78 WeakPolarHBondContact O-CB 3.47Å; C73-A78 PolarHBondContact O-N 3.31Å; C73-A78 VanDerWaalsContact O-N 3.07Å; C73-N79 WeakPolarHBondContact CB-O 3.33Å; C73-C167 WeakPolarHBondContact CA-SG 3.47Å; C73-C167 HydrophobicContact CB-CB 3.72Å; C73-C167 WeakPolarHBondContact CB-SG 3.43Å; C73-C167 VanDerWaalsContact SG-CA 3.51Å; C73-C167 WeakPolarHBondContact SG-CB 3.49Å; C73-C167 CovalentContact SG-SG 2.04Å; C73-C167 PolarHBondContact SG-SG 3.1Å
74	Q	98.8	Very high	98.6	Very high	99 Å²	99	43.5 Å²	43.5	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-59.1	-38.1	178	-69.7	174.2	-11.7	0	0	112.6	E70 K71 M76 G77 A78	E70-Q74 WeakPolarHBondContact O-CG 3.38Å; E70-Q74 PolarHBondContact O-N 3.35Å; E70-Q74 WeakPolarHBondContact OE1-CG 3.17Å; E70-Q74 PolarHBondContact OE1-NE2 2.72Å; K71-Q74 PolarHBondContact O-N 3.07Å; Q74-M76 PolarHBondContact O-N 2.95Å; Q74-M76 VanDerWaalsContact O-N 3.07Å; Q74-G77 PolarHBondContact O-N 2.71Å; Q74-A78 WeakPolarHBondContact CA-O 3.49Å; Q74-A78 PolarHBondContact N-O 3.15Å
75	S	98.6	Very high	98.5	Very high	94 Å²	94	44.9 Å²	44.9	66%	0.657	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.1	174.9	79	0	0	0	0	114.1	K71 N72 C73	K71-S75 PolarHBondContact O-N 3.05Å; N72-S75 PolarHBondContact O-N 2.89Å; N72-S75 PolarHBondContact O-OG 3.2Å; C73-S75 VanDerWaalsContact C-N 3.29Å; C73-S75 PolarHBondContact O-N 2.81Å
76	M	98.1	Very high	98.4	Very high	53 Å²	53	50.7 Å²	50.7	26%	0.261	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.9	176.6	-59.8	179.6	-73.8	0	0	113.3	W49 I60 N72 C73 Q74 C167 K169	W49-M76 HydrophobicContact CZ2-CB 4.01Å; W49-M76 HydrophobicContact CZ2-CE 4.5Å; W49-M76 HydrophobicContact CZ2-SD 4.19Å; I60-M76 HydrophobicContact CD1-CE 3.85Å; I60-M76 HydrophobicContact CG1-CE 4.41Å; N72-M76 WeakPolarHBondContact O-CE 3.22Å; C73-M76 WeakPolarHBondContact O-CA 3.49Å; C73-M76 PolarHBondContact O-N 2.77Å; Q74-M76 PolarHBondContact O-N 2.95Å; Q74-M76 VanDerWaalsContact O-N 3.07Å; M76-C167 HydrophobicContact CE-CB 4.49Å; M76-C167 VanDerWaalsContact CE-SG 3.6Å; M76-K169 PolarHBondContact O-NZ 2.9Å
77	G	98	Very high	98.3	Very high	62 Å²	62	53.7 Å²	53.7	64%	0.639	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	35.3	-175.4	0	0	0	0	0	112.9	Q74 K169	Q74-G77 PolarHBondContact O-N 2.71Å; G77-K169 WeakPolarHBondContact O-CB 3.27Å
78	A	98.5	Very high	98.2	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.025	26%	0.261	C	S	.	.			trans	-134.7	177.1	-177.4	0	0	0	0	0	110.4	W49 C73 Q74 C167 V168 K169	W49-A78 HydrophobicContact CH2-CB 3.48Å; W49-A78 VanDerWaalsContact CH2-CB 3.48Å; W49-A78 HydrophobicContact CZ2-CB 4.42Å; W49-A78 HydrophobicContact CZ3-CB 4.08Å; C73-A78 CarbonylContact C-O 3.16Å; C73-A78 HydrophobicContact CB-CB 4.33Å; C73-A78 CarbonylContact O-C 3.53Å; C73-A78 WeakPolarHBondContact O-CB 3.47Å; C73-A78 PolarHBondContact O-N 3.31Å; C73-A78 VanDerWaalsContact O-N 3.07Å; Q74-A78 WeakPolarHBondContact CA-O 3.49Å; Q74-A78 PolarHBondContact N-O 3.15Å; A78-C167 HydrophobicContact CB-CB 4.17Å; A78-V168 WeakPolarHBondContact CA-O 3.34Å; A78-V168 WeakPolarHBondContact CB-O 3.02Å; A78-K169 HydrophobicContact CB-CB 3.95Å; A78-K169 HydrophobicContact CB-CD 4.34Å; A78-K169 HydrophobicContact CB-CG 4.39Å
79	N	98.9	Very high	98.1	Very high	45 Å²	45	44.2 Å²	44.2	24%	0.241	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	173.9	168.4	-58	-70.8	0	0	0	108.5	E70 C73 D123 C167 V168	E70-N79 PolarHBondContact OE1-OD1 3.3Å; C73-N79 WeakPolarHBondContact CB-O 3.33Å; N79-D123 HydrophobicContact CB-CB 3.62Å; N79-D123 WeakPolarHBondContact ND2-CB 3.08Å; N79-C167 CarbonylContact O-C 3.08Å; N79-C167 WeakPolarHBondContact O-CA 3.06Å; N79-V168 PolarHBondContact N-O 3.19Å; N79-V168 PolarHBondContact O-N 3.28Å
80	L	98.9	Very high	98	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	147	163.6	-75.3	170.2	0	0	0	110.5	W66 A69 E70 S82 W107 S165 V166	W66-L80 HydrophobicContact CD2-CD1 3.88Å; W66-L80 VanDerWaalsContact CE2-CD1 3.46Å; W66-L80 HydrophobicContact CG-CD1 4.12Å; W66-L80 HydrophobicContact CZ2-CD1 3.85Å; A69-L80 HydrophobicContact CB-CD1 4.42Å; A69-L80 HydrophobicContact CB-CD2 3.97Å; E70-L80 HydrophobicContact CB-CD1 3.87Å; E70-L80 HydrophobicContact CB-CG 4.19Å; E70-L80 VanDerWaalsContact OE2-CB 3.24Å; E70-L80 WeakPolarHBondContact OE2-CB 3.12Å; E70-L80 VanDerWaalsContact OE2-CG 3.28Å; E70-L80 WeakPolarHBondContact OE2-CG 3.17Å; E70-L80 PolarHBondContact OE2-N 2.95Å; L80-S82 PolarHBondContact O-N 2.83Å; L80-W107 HydrophobicContact CD2-CB 4.45Å; L80-S165 VanDerWaalsContact CD2-CB 3.47Å; L80-V166 WeakPolarHBondContact CA-O 3.45Å
81	A	98.7	Very high	97.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-63.7	125.6	-171.5	0	0	0	0	0	112.3	F57 I92 I108 G109 V166 V168	F57-A81 HydrophobicContact CD1-CB 4.35Å; F57-A81 HydrophobicContact CE1-CB 4.5Å; A81-I92 HydrophobicContact CB-CD1 3.94Å; A81-I108 HydrophobicContact CB-CG2 4.29Å; A81-I108 WeakPolarHBondContact O-CB 3.26Å; A81-G109 PolarHBondContact O-N 2.86Å; A81-V166 HydrophobicContact CB-CB 3.97Å; A81-V166 HydrophobicContact CB-CG1 3.84Å; A81-V166 WeakPolarHBondContact CB-O 3.41Å; A81-V166 PolarHBondContact N-O 2.81Å; A81-V168 HydrophobicContact CB-CB 4.22Å; A81-V168 HydrophobicContact CB-CG1 4.47Å
82	S	98.6	Very high	97.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-92.8	152.8	164.7	56.9	0	0	0	0	110.8	R55 L80 H84 W121 D123	R55-S82 PolarHBondContact NH1-O 2.88Å; R55-S82 PolarHBondContact NH2-O 3Å; R55-S82 PolarHBondContact NH2-OG 2.71Å; L80-S82 PolarHBondContact O-N 2.83Å; S82-H84 PolarHBondContact OG-CE1 3.17Å; S82-H84 VanDerWaalsContact OG-CE1 3.28Å; S82-H84 PolarHBondContact OG-NE2 2.93Å; S82-W121 VanDerWaalsContact CB-CD2 3.43Å; S82-D123 WeakPolarHBondContact CB-OD2 3.41Å; S82-D123 PolarHBondContact OG-OD2 2.86Å
83	V	98.4	Very high	97.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.			trans	-121.4	123	-178.1	-171.5	0	0	0	0	109.1	D85 D88 I92 I108 W121 Y129 W154	V83-D85 VanDerWaalsContact CG1-O 3.31Å; V83-D85 WeakPolarHBondContact CG1-O 3.28Å; V83-D88 HydrophobicContact CG1-CB 3.88Å; V83-I92 HydrophobicContact CG2-CD1 3.76Å; V83-I108 HydrophobicContact CG2-CD1 4.05Å; V83-W121 HydrophobicContact CB-CH2 4.1Å; V83-W121 HydrophobicContact CB-CZ2 3.91Å; V83-W121 HydrophobicContact CG2-CH2 3.99Å; V83-W121 HydrophobicContact CG2-CZ2 4.31Å; V83-W121 VanDerWaalsContact N-CZ2 3.33Å; V83-W121 WeakPolarHBondContact O-CZ2 3.2Å; V83-Y129 HydrophobicContact CB-CD1 4.3Å; V83-Y129 HydrophobicContact CG1-CD1 3.61Å; V83-Y129 HydrophobicContact CG1-CE1 3.76Å; V83-W154 HydrophobicContact CB-CH2 4.1Å; V83-W154 HydrophobicContact CB-CZ2 3.67Å; V83-W154 HydrophobicContact CG1-CZ2 3.89Å; V83-W154 HydrophobicContact CG2-CZ2 3.87Å
84	H	97.3	Very high	97.7	Very high	67 Å²	67	47.3 Å²	47.3	31%	0.31	25%	0.248	S	C	.	.			trans	-110.3	-18.4	-176.6	-55	-43.4	0	0	0	113.6	R55 S82 D88 T125 Y129	R55-H84 PolarHBondContact NH1-CD2 3.11Å; R55-H84 VanDerWaalsContact NH1-CD2 3.34Å; R55-H84 PolarHBondContact NH2-NE2 3.36Å; S82-H84 PolarHBondContact OG-CE1 3.17Å; S82-H84 VanDerWaalsContact OG-CE1 3.28Å; S82-H84 PolarHBondContact OG-NE2 2.93Å; H84-D88 WeakPolarHBondContact CB-OD2 3.3Å; H84-D88 IonicContact CD2-OD2 3.56Å; H84-D88 IonicContact CG-OD2 3.76Å; H84-D88 PolarHBondContact N-OD2 2.76Å; H84-T125 PolarHBondContact CE1-OG1 3.05Å; H84-Y129 WeakPolarHBondContact O-CB 3.14Å
85	D	96.8	Very high	97.6	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.262	23%	0.232	S	C	.	.	S	Bend	trans	-154.5	-178.6	178.5	56.6	40.1	0	0	0	111.3	V83 E87 D88 Y89	V83-D85 VanDerWaalsContact CG1-O 3.31Å; V83-D85 WeakPolarHBondContact CG1-O 3.28Å; D85-E87 VanDerWaalsContact C-N 3.27Å; D85-E87 PolarHBondContact O-N 3.47Å; D85-E87 WeakPolarHBondContact OD1-CB 3.4Å; D85-E87 PolarHBondContact OD1-N 3.2Å; D85-E87 VanDerWaalsContact OD1-N 3.11Å; D85-D88 WeakPolarHBondContact OD1-CB 3.37Å; D85-D88 PolarHBondContact OD1-N 3.24Å; D85-Y89 PolarHBondContact O-N 2.95Å
86	K	96.9	Very high	97.6	Very high	142 Å²	142	39.5 Å²	39.5	62%	0.617	20%	0.201	S	C	*	.	H	α-helix	trans	-68	-32.5	-178.8	-176.9	-176.7	176.4	-174.6	0	111.3	Y89 H90	K86-Y89 PolarHBondContact O-N 2.95Å; K86-H90 WeakPolarHBondContact O-CB 3.49Å; K86-H90 PolarHBondContact O-N 2.95Å
87	E	96.6	Very high	97.6	Very high	96 Å²	96	38.9 Å²	38.9	45%	0.449	20%	0.201	S	C	.	.	H	α-helix	trans	-72	-43.4	-176.1	-66.1	63.5	-147.1	0	0	111.1	F52 D85 Y89 H90 E91	F52-E87 HydrophobicContact CE1-CB 3.77Å; F52-E87 HydrophobicContact CZ-CB 3.6Å; D85-E87 VanDerWaalsContact C-N 3.27Å; D85-E87 PolarHBondContact O-N 3.47Å; D85-E87 WeakPolarHBondContact OD1-CB 3.4Å; D85-E87 PolarHBondContact OD1-N 3.2Å; D85-E87 VanDerWaalsContact OD1-N 3.11Å; E87-Y89 VanDerWaalsContact C-N 3.28Å; E87-Y89 PolarHBondContact O-N 3.39Å; E87-H90 PolarHBondContact O-N 3.19Å; E87-E91 PolarHBondContact O-N 3.2Å
88	D	95.9	Very high	97.6	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.011	20%	0.199	C	C	.	.	H	α-helix	trans	-52.1	-49	168.1	-84.5	-23.2	0	0	0	110.5	R55 V83 H84 D85 H90 E91 I92	R55-D88 IonicContact CZ-OD2 3.92Å; R55-D88 IonicContact NH1-OD1 3.17Å; R55-D88 PolarHBondContact NH1-OD1 3Å; R55-D88 IonicContact NH1-OD2 2.71Å; R55-D88 PolarHBondContact NH1-OD2 3.4Å; V83-D88 HydrophobicContact CG1-CB 3.88Å; H84-D88 WeakPolarHBondContact CB-OD2 3.3Å; H84-D88 IonicContact CD2-OD2 3.56Å; H84-D88 IonicContact CG-OD2 3.76Å; H84-D88 PolarHBondContact N-OD2 2.76Å; D85-D88 WeakPolarHBondContact OD1-CB 3.37Å; D85-D88 PolarHBondContact OD1-N 3.24Å; D88-H90 VanDerWaalsContact C-N 3.34Å; D88-H90 PolarHBondContact O-N 3.14Å; D88-E91 PolarHBondContact O-N 2.68Å; D88-I92 WeakPolarHBondContact O-CB 3.37Å; D88-I92 VanDerWaalsContact O-CG1 3.31Å; D88-I92 WeakPolarHBondContact O-CG1 3.45Å; D88-I92 PolarHBondContact O-N 3.46Å
89	Y	97.4	Very high	97.5	Very high	12 Å²	12	43 Å²	43	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-41.9	-179.1	-170.6	-129.4	0	0	0	111.9	D85 K86 E87 I92 K93 I131 T148 C153 W154	D85-Y89 PolarHBondContact O-N 2.95Å; K86-Y89 PolarHBondContact O-N 2.95Å; E87-Y89 VanDerWaalsContact C-N 3.28Å; E87-Y89 PolarHBondContact O-N 3.39Å; Y89-I92 PolarHBondContact O-N 2.94Å; Y89-K93 HydrophobicContact CD2-CG 4.36Å; Y89-K93 HydrophobicContact CE1-CG 4.32Å; Y89-K93 HydrophobicContact CE2-CD 4.26Å; Y89-K93 HydrophobicContact CE2-CG 4.05Å; Y89-K93 WeakPolarHBondContact O-CB 3.47Å; Y89-K93 WeakPolarHBondContact O-CG 3.48Å; Y89-K93 PolarHBondContact O-N 3Å; Y89-I131 HydrophobicContact CD1-CD1 4.24Å; Y89-I131 HydrophobicContact CD1-CG2 4.13Å; Y89-I131 HydrophobicContact CE1-CD1 4.12Å; Y89-I131 HydrophobicContact CE1-CG2 3.97Å; Y89-I131 HydrophobicContact CG-CG2 4.49Å; Y89-T148 WeakPolarHBondContact CE2-OG1 3.3Å; Y89-T148 PolarHBondContact OH-OG1 3.18Å; Y89-C153 PolarHBondContact OH-N 2.9Å; Y89-C153 VanDerWaalsContact OH-N 3.17Å; Y89-C153 PolarHBondContact OH-O 3.35Å; Y89-W154 AromaticContact CD2-NE1 3.48Å; Y89-W154 AromaticContact CE2-CD1 3.62Å; Y89-W154 AromaticContact CE2-NE1 3.13Å; Y89-W154 AromaticContact CZ-CD1 3.85Å; Y89-W154 AromaticContact CZ-NE1 3.68Å
90	H	96.5	Very high	97.4	Very high	115 Å²	115	41.7 Å²	41.7	53%	0.532	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-46.5	177.3	-177.7	71.6	0	0	0	111.8	K86 E87 D88 K93 K94	K86-H90 WeakPolarHBondContact O-CB 3.49Å; K86-H90 PolarHBondContact O-N 2.95Å; E87-H90 PolarHBondContact O-N 3.19Å; D88-H90 VanDerWaalsContact C-N 3.34Å; D88-H90 PolarHBondContact O-N 3.14Å; H90-K93 PolarHBondContact O-N 3.04Å; H90-K94 WeakPolarHBondContact O-CB 3.31Å; H90-K94 PolarHBondContact O-N 3.2Å
91	E	96.1	Very high	97.2	Very high	38 Å²	38	49.5 Å²	49.5	18%	0.178	25%	0.249	C	C	.	.	H	α-helix	trans	-68.7	-37.2	-179.7	-73.1	-59.8	152.1	0	0	112.4	F52 E87 D88 K93 K94 L95	F52-E91 HydrophobicContact CB-CG 4.31Å; F52-E91 HydrophobicContact CD1-CB 4.24Å; F52-E91 HydrophobicContact CD1-CG 3.93Å; F52-E91 HydrophobicContact CD2-CG 3.66Å; F52-E91 HydrophobicContact CE1-CG 4.18Å; F52-E91 HydrophobicContact CE2-CG 3.93Å; F52-E91 HydrophobicContact CG-CB 4.22Å; F52-E91 HydrophobicContact CG-CG 3.68Å; F52-E91 HydrophobicContact CZ-CG 4.21Å; E87-E91 PolarHBondContact O-N 3.2Å; D88-E91 PolarHBondContact O-N 2.68Å; E91-K93 PolarHBondContact O-N 2.04Å; E91-K94 PolarHBondContact O-N 3.34Å; E91-K94 IonicContact OE1-NZ 3.25Å; E91-K94 PolarHBondContact OE1-NZ 2.83Å; E91-K94 IonicContact OE2-NZ 3.24Å; E91-K94 PolarHBondContact OE2-NZ 2.85Å; E91-L95 VanDerWaalsContact O-CB 3.26Å; E91-L95 WeakPolarHBondContact O-CB 3.44Å; E91-L95 PolarHBondContact O-N 2.94Å
92	I	97.9	Very high	97	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.1	-47.5	171.2	-73.2	167.3	0	0	0	110.8	F57 A81 V83 D88 Y89 L95 I96 I108 V166	F57-I92 HydrophobicContact CD1-CD1 4.34Å; F57-I92 HydrophobicContact CD1-CG1 3.96Å; F57-I92 HydrophobicContact CE1-CD1 4Å; F57-I92 HydrophobicContact CE1-CG1 4.02Å; A81-I92 HydrophobicContact CB-CD1 3.94Å; V83-I92 HydrophobicContact CG2-CD1 3.76Å; D88-I92 WeakPolarHBondContact O-CB 3.37Å; D88-I92 VanDerWaalsContact O-CG1 3.31Å; D88-I92 WeakPolarHBondContact O-CG1 3.45Å; D88-I92 PolarHBondContact O-N 3.46Å; Y89-I92 PolarHBondContact O-N 2.94Å; I92-L95 PolarHBondContact O-N 2.92Å; I92-I96 HydrophobicContact CG2-CD1 3.95Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.38Å; I92-I96 PolarHBondContact O-N 3.09Å; I92-I108 HydrophobicContact CG2-CG2 4.37Å; I92-V166 HydrophobicContact CG1-CG1 4.46Å; I92-V166 HydrophobicContact CG2-CG2 4.16Å
93	K	97.8	Very high	96.8	Very high	15 Å²	15	61.7 Å²	61.7	7%	0.065	30%	0.301	C	S	.	.	H	α-helix	trans	-61.6	-45.6	178.9	-74.7	-80.5	-62.4	-159.4	0	111.7	Y89 H90 E91 I96 V97 G149 R151	Y89-K93 HydrophobicContact CD2-CG 4.36Å; Y89-K93 HydrophobicContact CE1-CG 4.32Å; Y89-K93 HydrophobicContact CE2-CD 4.26Å; Y89-K93 HydrophobicContact CE2-CG 4.05Å; Y89-K93 WeakPolarHBondContact O-CB 3.47Å; Y89-K93 WeakPolarHBondContact O-CG 3.48Å; Y89-K93 PolarHBondContact O-N 3Å; H90-K93 PolarHBondContact O-N 3.04Å; E91-K93 PolarHBondContact O-N 2.04Å; K93-I96 PolarHBondContact O-N 3.48Å; K93-V97 WeakPolarHBondContact O-CG2 3.42Å; K93-V97 PolarHBondContact O-N 2.87Å; K93-V97 VanDerWaalsContact O-N 3.09Å; K93-G149 PolarHBondContact NZ-O 2.76Å; K93-R151 PolarHBondContact NZ-O 3.24Å
94	K	97.3	Very high	96.6	Very high	102 Å²	102	65.8 Å²	65.8	44%	0.443	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-46.2	176.7	179.6	178	161.9	-157.3	0	111.2	H90 E91 I96 V97 T98	H90-K94 WeakPolarHBondContact O-CB 3.31Å; H90-K94 PolarHBondContact O-N 3.2Å; E91-K94 PolarHBondContact O-N 3.34Å; E91-K94 IonicContact OE1-NZ 3.25Å; E91-K94 PolarHBondContact OE1-NZ 2.83Å; E91-K94 IonicContact OE2-NZ 3.24Å; E91-K94 PolarHBondContact OE2-NZ 2.85Å; K94-I96 VanDerWaalsContact C-N 3.33Å; K94-I96 PolarHBondContact O-N 2.98Å; K94-V97 PolarHBondContact O-N 3.4Å; K94-T98 WeakPolarHBondContact O-CB 3.38Å; K94-T98 PolarHBondContact O-N 3.49Å; K94-T98 PolarHBondContact O-OG1 2.83Å
95	L	97.6	Very high	96.7	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.131	32%	0.319	C	S	.	.	H	α-helix	trans	-57	-44.4	176.8	-179.7	64	0	0	0	112.2	F57 E91 I92 A99 V166	F57-L95 HydrophobicContact CB-CD2 3.79Å; E91-L95 VanDerWaalsContact O-CB 3.26Å; E91-L95 WeakPolarHBondContact O-CB 3.44Å; E91-L95 PolarHBondContact O-N 2.94Å; I92-L95 PolarHBondContact O-N 2.92Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.27Å; L95-A99 PolarHBondContact O-N 3.19Å; L95-V166 HydrophobicContact CD2-CG1 4.04Å
96	I	98.1	Very high	96.7	Very high	3 Å²	3	62 Å²	62	2%	0.015	31%	0.307	C	S	.	.	H	α-helix	trans	-61.6	-48.4	177.3	-67.7	162	0	0	0	111	Y59 I92 K93 K94 A99 S100 K104 T106 T148 V166	Y59-I96 HydrophobicContact CD2-CG1 3.91Å; Y59-I96 HydrophobicContact CE2-CG1 4.14Å; Y59-I96 HydrophobicContact CE2-CG2 4.27Å; I92-I96 HydrophobicContact CG2-CD1 3.95Å; I92-I96 VanDerWaalsContact O-CG1 3.3Å; I92-I96 WeakPolarHBondContact O-CG1 3.38Å; I92-I96 PolarHBondContact O-N 3.09Å; K93-I96 PolarHBondContact O-N 3.48Å; K94-I96 VanDerWaalsContact C-N 3.33Å; K94-I96 PolarHBondContact O-N 2.98Å; I96-A99 PolarHBondContact O-N 3.37Å; I96-S100 WeakPolarHBondContact O-CB 3.28Å; I96-S100 PolarHBondContact O-N 3.29Å; I96-S100 PolarHBondContact O-OG 3.45Å; I96-K104 HydrophobicContact CG2-CB 4.44Å; I96-T106 HydrophobicContact CD1-CG2 3.88Å; I96-T106 HydrophobicContact CG1-CG2 4.14Å; I96-T148 HydrophobicContact CD1-CG2 3.82Å; I96-V166 HydrophobicContact CD1-CG2 4.06Å; I96-V166 HydrophobicContact CG1-CG2 3.84Å
97	V	97.8	Very high	96.8	Very high	41 Å²	41	55.3 Å²	55.3	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-66.5	-44.1	-178.7	174.3	0	0	0	0	111.1	K93 K94 A99 H101 E102 Y103	K93-V97 WeakPolarHBondContact O-CG2 3.42Å; K93-V97 PolarHBondContact O-N 2.87Å; K93-V97 VanDerWaalsContact O-N 3.09Å; K94-V97 PolarHBondContact O-N 3.4Å; V97-A99 VanDerWaalsContact C-N 3.3Å; V97-A99 PolarHBondContact O-N 3.36Å; V97-H101 WeakPolarHBondContact O-CA 3.24Å; V97-H101 PolarHBondContact O-N 2.93Å; V97-E102 WeakPolarHBondContact CA-O 3.5Å; V97-Y103 HydrophobicContact CG2-CD1 3.33Å; V97-Y103 HydrophobicContact CG2-CD2 4.39Å; V97-Y103 HydrophobicContact CG2-CE1 3.34Å; V97-Y103 HydrophobicContact CG2-CE2 4.38Å; V97-Y103 HydrophobicContact CG2-CG 3.9Å
98	T	97	Very high	96.9	Very high	98 Å²	98	50.7 Å²	50.7	60%	0.601	26%	0.256	S	S	*	.	H	α-helix	trans	-60.8	-40.6	178	-62.6	0	0	0	0	111.6	K94	K94-T98 WeakPolarHBondContact O-CB 3.38Å; K94-T98 PolarHBondContact O-N 3.49Å; K94-T98 PolarHBondContact O-OG1 2.83Å
99	A	96.6	Very high	97.1	Very high	54 Å²	54	50.6 Å²	50.6	45%	0.446	26%	0.255	S	S	.	.	H	α-helix	trans	-84.6	-28.2	-176.1	0	0	0	0	0	114.3	Y59 L95 I96 V97	Y59-A99 HydrophobicContact CD1-CB 3.41Å; Y59-A99 VanDerWaalsContact CD1-CB 3.41Å; Y59-A99 HydrophobicContact CE1-CB 4.02Å; Y59-A99 HydrophobicContact CG-CB 4.05Å; L95-A99 VanDerWaalsContact O-CB 3.3Å; L95-A99 WeakPolarHBondContact O-CB 3.27Å; L95-A99 PolarHBondContact O-N 3.19Å; I96-A99 PolarHBondContact O-N 3.37Å; V97-A99 VanDerWaalsContact C-N 3.3Å; V97-A99 PolarHBondContact O-N 3.36Å
100	S	96.6	Very high	97.1	Very high	17 Å²	17	50 Å²	50	12%	0.119	25%	0.253	C	S	.	.	H	α-helix	trans	-110.8	-7	-175.8	72.4	0	0	0	0	115.3	I96 E102	I96-S100 WeakPolarHBondContact O-CB 3.28Å; I96-S100 PolarHBondContact O-N 3.29Å; I96-S100 PolarHBondContact O-OG 3.45Å; S100-E102 PolarHBondContact O-N 2.9Å; S100-E102 PolarHBondContact OG-N 3Å; S100-E102 PolarHBondContact OG-O 3.24Å
101	H	95.8	Very high	97.1	Very high	164 Å²	164	45.3 Å²	45.3	76%	0.759	23%	0.233	S	C	*	.	S	Bend	trans	60.7	12	-173.1	-54.7	-69.4	0	0	0	114.7	V97	V97-H101 WeakPolarHBondContact O-CA 3.24Å; V97-H101 PolarHBondContact O-N 2.93Å
102	E	94.9	Very high	97.1	Very high	116 Å²	116	43.6 Å²	43.6	54%	0.542	23%	0.225	S	C	.	.	S	Bend	trans	-148.4	166.3	-176.3	-67.8	174.1	-164.1	0	0	110.4	V97 S100 K104	V97-E102 WeakPolarHBondContact CA-O 3.5Å; S100-E102 PolarHBondContact O-N 2.9Å; S100-E102 PolarHBondContact OG-N 3Å; S100-E102 PolarHBondContact OG-O 3.24Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 HydrophobicContact CB-CG 4.15Å; E102-K104 PolarHBondContact O-N 3.25Å; E102-K104 VanDerWaalsContact O-N 3.14Å; E102-K104 WeakPolarHBondContact OE2-CE 3.41Å
103	Y	92.7	Very high	96.8	Very high	139 Å²	139	46.6 Å²	46.6	55%	0.545	25%	0.25	S	C	.	.			trans	-87	62.9	170.4	-63	-86.8	0	0	0	111.4	V97 G149 G150	V97-Y103 HydrophobicContact CG2-CD1 3.33Å; V97-Y103 HydrophobicContact CG2-CD2 4.39Å; V97-Y103 HydrophobicContact CG2-CE1 3.34Å; V97-Y103 HydrophobicContact CG2-CE2 4.38Å; V97-Y103 HydrophobicContact CG2-CG 3.9Å; Y103-G149 CarbonylContact O-C 3.46Å; Y103-G150 PolarHBondContact O-N 2.9Å
104	K	96.1	Very high	96.4	Very high	86 Å²	86	54.4 Å²	54.4	37%	0.374	29%	0.287	S	S	.	.			trans	-61.4	138	-176.4	-73.8	-165.7	177.2	-178.3	0	112.5	I96 E102 T106	I96-K104 HydrophobicContact CG2-CB 4.44Å; E102-K104 VanDerWaalsContact C-N 3.27Å; E102-K104 HydrophobicContact CB-CG 4.15Å; E102-K104 PolarHBondContact O-N 3.25Å; E102-K104 VanDerWaalsContact O-N 3.14Å; E102-K104 WeakPolarHBondContact OE2-CE 3.41Å; K104-T106 PolarHBondContact O-N 3.25Å; K104-T106 PolarHBondContact O-OG1 3Å
105	A	97.7	Very high	96.1	Very high	38 Å²	38	54.7 Å²	54.7	31%	0.314	29%	0.29	S	S	.	.			trans	-60.2	117.6	168.4	0	0	0	0	0	109.4	Y147 T148 K163	A105-Y147 HydrophobicContact CB-CD2 3.8Å; A105-Y147 HydrophobicContact CB-CE2 3.9Å; A105-T148 CarbonylContact C-O 3.49Å; A105-T148 VanDerWaalsContact CA-O 3.28Å; A105-T148 WeakPolarHBondContact CA-O 3.5Å; A105-K163 HydrophobicContact CB-CD 4.22Å
106	T	98.6	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	131.5	-164.1	-60.2	0	0	0	0	110	Y59 I96 K104 Y147 T148 P164 V166	Y59-T106 HydrophobicContact CD2-CG2 4.25Å; Y59-T106 HydrophobicContact CE2-CG2 3.96Å; I96-T106 HydrophobicContact CD1-CG2 3.88Å; I96-T106 HydrophobicContact CG1-CG2 4.14Å; K104-T106 PolarHBondContact O-N 3.25Å; K104-T106 PolarHBondContact O-OG1 3Å; T106-Y147 VanDerWaalsContact O-CA 3.32Å; T106-Y147 WeakPolarHBondContact O-CA 3.41Å; T106-Y147 WeakPolarHBondContact O-CB 3.48Å; T106-T148 PolarHBondContact N-O 3.13Å; T106-T148 PolarHBondContact O-N 3.32Å; T106-P164 CarbonylContact C-O 3.56Å; T106-P164 WeakPolarHBondContact CA-O 3.46Å; T106-P164 HydrophobicContact CG2-CB 4.41Å; T106-V166 HydrophobicContact CG2-CG2 3.9Å
107	W	98.8	Very high	95.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	138.5	176.3	-66.1	135.6	0	0	0	111.9	M64 W66 L80 C145 Y147 F157 H161 K163 P164 S165 V166	M64-W107 PolarHBondContact O-NE1 2.03Å; W66-W107 HydrophobicContact CB-CD2 4.35Å; L80-W107 HydrophobicContact CD2-CB 4.45Å; W107-C145 HydrophobicContact CE3-CB 4.46Å; W107-C145 HydrophobicContact CH2-CB 4.37Å; W107-C145 HydrophobicContact CZ3-CB 4.02Å; W107-C145 WeakPolarHBondContact CZ3-O 3.49Å; W107-Y147 HydrophobicContact CZ3-CD1 4.31Å; W107-Y147 HydrophobicContact CZ3-CG 4.35Å; W107-F157 HydrophobicContact CH2-CB 3.84Å; W107-F157 HydrophobicContact CH2-CD1 4.1Å; W107-F157 HydrophobicContact CH2-CG 4.46Å; W107-F157 HydrophobicContact CZ3-CB 3.98Å; W107-H161 HydrophobicContact CZ2-CB 4.21Å; W107-H161 VanDerWaalsContact CZ2-O 3.3Å; W107-H161 WeakPolarHBondContact CZ2-O 3.18Å; W107-H161 PolarHBondContact NE1-O 3.2Å; W107-K163 HydrophobicContact CD2-CB 4.09Å; W107-K163 HydrophobicContact CD2-CD 3.8Å; W107-K163 HydrophobicContact CD2-CG 4.23Å; W107-K163 HydrophobicContact CE3-CD 3.93Å; W107-K163 HydrophobicContact CG-CB 4.04Å; W107-K163 HydrophobicContact CH2-CD 3.84Å; W107-K163 HydrophobicContact CH2-CG 4.46Å; W107-K163 HydrophobicContact CZ2-CB 4.41Å; W107-K163 HydrophobicContact CZ2-CD 3.69Å; W107-K163 HydrophobicContact CZ2-CG 3.84Å; W107-K163 HydrophobicContact CZ3-CD 3.94Å; W107-P164 PolarHBondContact N-O 2.88Å; W107-S165 WeakPolarHBondContact O-CA 3.25Å; W107-V166 PolarHBondContact O-N 3.12Å
108	I	98.7	Very high	95.1	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	172.7	163.9	56.6	170.2	0	0	0	109.1	W66 A81 V83 I92 G110 W121 L146 T148	W66-I108 PolarHBondContact NE1-O 3.34Å; A81-I108 HydrophobicContact CB-CG2 4.29Å; A81-I108 WeakPolarHBondContact O-CB 3.26Å; V83-I108 HydrophobicContact CG2-CD1 4.05Å; I92-I108 HydrophobicContact CG2-CG2 4.37Å; I108-G110 PolarHBondContact O-N 2.99Å; I108-G110 VanDerWaalsContact O-N 3.09Å; I108-W121 HydrophobicContact CD1-CH2 4.15Å; I108-W121 HydrophobicContact CD1-CZ3 4.28Å; I108-W121 HydrophobicContact CG1-CZ3 4.42Å; I108-L146 HydrophobicContact CD1-CD2 3.21Å; I108-L146 HydrophobicContact CG1-CB 4.43Å; I108-L146 HydrophobicContact CG1-CD2 3.28Å; I108-L146 HydrophobicContact CG1-CG 4.47Å; I108-L146 PolarHBondContact N-O 2.92Å; I108-L146 VanDerWaalsContact N-O 3.16Å; I108-T148 HydrophobicContact CG2-CG2 4.36Å
109	G	98.4	Very high	95.1	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	6.5	-159.4	0	0	0	0	0	116.5	A81 W121 S122	A81-G109 PolarHBondContact O-N 2.86Å; G109-W121 VanDerWaalsContact C-CE3 3.4Å; G109-S122 PolarHBondContact O-N 3.22Å
110	G	98.2	Very high	95.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.9	-176.2	0	0	0	0	0	111.1	I108 F120 L146	I108-G110 PolarHBondContact O-N 2.99Å; I108-G110 VanDerWaalsContact O-N 3.09Å; G110-F120 CarbonylContact C-O 3.56Å; G110-F120 WeakPolarHBondContact CA-O 3.26Å; G110-L146 VanDerWaalsContact O-CB 3.26Å; G110-L146 WeakPolarHBondContact O-CB 3.26Å; G110-L146 PolarHBondContact O-N 3.45Å
111	S	97.3	Very high	95.2	Very high	16 Å²	16	62.8 Å²	62.8	11%	0.112	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	146	171.4	-173.9	0	0	0	0	112.1	A113 F120 H144	S111-A113 WeakPolarHBondContact OG-CB 3.26Å; S111-A113 PolarHBondContact OG-N 3.08Å; S111-F120 PolarHBondContact N-O 2.78Å; S111-F120 PolarHBondContact O-N 3.32Å; S111-H144 WeakPolarHBondContact CA-O 3.1Å; S111-H144 VanDerWaalsContact CB-O 3.27Å; S111-H144 WeakPolarHBondContact CB-O 3.37Å; S111-H144 PolarHBondContact OG-O 2.77Å
112	D	95.3	Very high	95.3	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.011	28%	0.283	C	S	.	.			trans	-114.2	17.3	169.6	73.8	-19.2	0	0	0	112	Q114 E115 N117 E118 W119 H144	D112-Q114 PolarHBondContact O-N 2.99Å; D112-E115 CarbonylContact O-C 3.59Å; D112-E115 PolarHBondContact O-N 2.03Å; D112-E115 VanDerWaalsContact O-N 3.14Å; D112-N117 PolarHBondContact OD2-N 2.92Å; D112-E118 VanDerWaalsContact CA-O 3.26Å; D112-E118 WeakPolarHBondContact CA-O 3.36Å; D112-E118 VanDerWaalsContact CB-O 3.26Å; D112-E118 WeakPolarHBondContact CB-O 3.14Å; D112-W119 HydrophobicContact CB-CD2 4Å; D112-W119 HydrophobicContact CB-CE3 4.44Å; D112-W119 HydrophobicContact CB-CG 4.19Å; D112-W119 HydrophobicContact CB-CZ2 4.41Å; D112-H144 PolarHBondContact N-O 2.95Å; D112-H144 WeakPolarHBondContact OD1-CA 3.37Å; D112-H144 WeakPolarHBondContact OD1-CB 3.06Å; D112-H144 IonicContact OD1-CG 3.99Å; D112-H144 IonicContact OD1-ND1 3.64Å; D112-H144 PolarHBondContact OD1-ND1 3.45Å; D112-H144 IonicContact OD2-ND1 3.08Å
113	A	91.9	Very high	95.5	Very high	63 Å²	63	53.1 Å²	53.1	52%	0.521	27%	0.268	S	S	.	.	S	Bend	trans	-63.7	-16.7	-175.9	0	0	0	0	0	113.9	S111 H144	S111-A113 WeakPolarHBondContact OG-CB 3.26Å; S111-A113 PolarHBondContact OG-N 3.08Å; A113-H144 HydrophobicContact CB-CB 3.73Å
114	Q	90	Very high	95.7	Very high	179 Å²	179	49.8 Å²	49.8	84%	0.836	28%	0.276	S	S	*	.	S	Bend	trans	-80.7	-43.6	176	-64.3	-174.3	16.7	0	0	111.4	D112	D112-Q114 PolarHBondContact O-N 2.99Å
115	E	90.6	Very high	95.7	Very high	108 Å²	108	47.4 Å²	47.4	51%	0.505	27%	0.269	S	S	.	.	S	Bend	trans	-147.6	116.9	-179.5	-178.9	159.4	-172.1	0	0	109.2	D112 N117 E118	D112-E115 CarbonylContact O-C 3.59Å; D112-E115 PolarHBondContact O-N 2.03Å; D112-E115 VanDerWaalsContact O-N 3.14Å; E115-N117 PolarHBondContact O-N 3.21Å; E115-E118 HydrophobicContact CB-CB 4.1Å; E115-E118 HydrophobicContact CB-CG 4.44Å; E115-E118 HydrophobicContact CG-CB 4.12Å; E115-E118 HydrophobicContact CG-CG 3.92Å; E115-E118 WeakPolarHBondContact O-CA 3.41Å; E115-E118 WeakPolarHBondContact O-CB 3.39Å; E115-E118 PolarHBondContact O-N 2.84Å
116	E	89.5	Confident	95.7	Very high	73 Å²	73	49.4 Å²	49.4	34%	0.341	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	132.5	-175.6	177.3	63	-140.1	0	0	112	E118 N139 H144	E116-E118 PolarHBondContact O-N 3.08Å; E116-N139 WeakPolarHBondContact OE1-CB 3.45Å; E116-N139 PolarHBondContact OE1-ND2 3.33Å; E116-N139 PolarHBondContact OE2-ND2 3.4Å; E116-H144 IonicContact OE2-CE1 2.99Å; E116-H144 PolarHBondContact OE2-CE1 3.49Å; E116-H144 IonicContact OE2-ND1 3.44Å
117	N	88.7	Confident	95.6	Very high	121 Å²	121	51.1 Å²	51.1	65%	0.647	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	-2.6	-171.8	-51.2	-73.2	0	0	0	115.8	D112 E115	D112-N117 PolarHBondContact OD2-N 2.92Å; E115-N117 PolarHBondContact O-N 3.21Å
118	E	93.9	Very high	95.5	Very high	92 Å²	92	59 Å²	59	43%	0.43	32%	0.322	S	S	.	.			trans	-102.9	103.2	172.2	-64.8	-156.8	163.4	0	0	110.6	D112 E115 E116 F120	D112-E118 VanDerWaalsContact CA-O 3.26Å; D112-E118 WeakPolarHBondContact CA-O 3.36Å; D112-E118 VanDerWaalsContact CB-O 3.26Å; D112-E118 WeakPolarHBondContact CB-O 3.14Å; E115-E118 HydrophobicContact CB-CB 4.1Å; E115-E118 HydrophobicContact CB-CG 4.44Å; E115-E118 HydrophobicContact CG-CB 4.12Å; E115-E118 HydrophobicContact CG-CG 3.92Å; E115-E118 WeakPolarHBondContact O-CA 3.41Å; E115-E118 WeakPolarHBondContact O-CB 3.39Å; E115-E118 PolarHBondContact O-N 2.84Å; E116-E118 PolarHBondContact O-N 3.08Å; E118-F120 HydrophobicContact CB-CE2 3.69Å; E118-F120 HydrophobicContact CB-CZ 3.9Å; E118-F120 WeakPolarHBondContact O-CD2 3.37Å; E118-F120 WeakPolarHBondContact O-CE2 3.22Å
119	W	96.2	Very high	95.4	Very high	26 Å²	26	61.3 Å²	61.3	10%	0.098	33%	0.331	C	S	.	.			trans	-87.9	133.1	-176.6	-73.3	81.4	0	0	0	112.5	D112 F127 W132 P137 L146 D156	D112-W119 HydrophobicContact CB-CD2 4Å; D112-W119 HydrophobicContact CB-CE3 4.44Å; D112-W119 HydrophobicContact CB-CG 4.19Å; D112-W119 HydrophobicContact CB-CZ2 4.41Å; W119-F127 HydrophobicContact CB-CD1 3.59Å; W119-F127 HydrophobicContact CB-CD2 4.1Å; W119-F127 HydrophobicContact CB-CE1 3.42Å; W119-F127 VanDerWaalsContact CB-CE1 3.42Å; W119-F127 HydrophobicContact CB-CE2 3.97Å; W119-F127 HydrophobicContact CB-CG 3.94Å; W119-F127 HydrophobicContact CB-CZ 3.63Å; W119-F127 HydrophobicContact CD2-CZ 4.39Å; W119-F127 HydrophobicContact CE3-CZ 4.37Å; W119-F127 HydrophobicContact CG-CE1 4.05Å; W119-F127 HydrophobicContact CG-CZ 4.11Å; W119-F127 WeakPolarHBondContact O-CB 3.31Å; W119-F127 WeakPolarHBondContact O-CG 3.49Å; W119-W132 AromaticContact CD1-CZ2 3.98Å; W119-W132 AromaticContact CD2-CH2 3.58Å; W119-W132 HydrophobicContact CD2-CH2 3.58Å; W119-W132 AromaticContact CD2-CZ2 3.75Å; W119-W132 HydrophobicContact CD2-CZ2 3.75Å; W119-W132 AromaticContact CE2-CH2 3.38Å; W119-W132 AromaticContact CE2-CZ2 3.7Å; W119-W132 AromaticContact CE3-CH2 3.86Å; W119-W132 HydrophobicContact CE3-CH2 3.86Å; W119-W132 HydrophobicContact CE3-CZ2 4.36Å; W119-W132 HydrophobicContact CG-CH2 4.26Å; W119-W132 AromaticContact CG-CZ2 3.93Å; W119-W132 HydrophobicContact CG-CZ2 3.93Å; W119-W132 AromaticContact CH2-CH2 3.79Å; W119-W132 HydrophobicContact CH2-CH2 3.79Å; W119-W132 HydrophobicContact CH2-CZ3 4.38Å; W119-W132 AromaticContact CZ2-CH2 3.49Å; W119-W132 HydrophobicContact CZ2-CH2 3.49Å; W119-W132 VanDerWaalsContact CZ2-CH2 3.49Å; W119-W132 HydrophobicContact CZ2-CZ2 4.26Å; W119-W132 HydrophobicContact CZ2-CZ3 4.18Å; W119-W132 AromaticContact CZ3-CH2 3.98Å; W119-W132 HydrophobicContact CZ3-CH2 3.98Å; W119-W132 AromaticContact NE1-CH2 3.95Å; W119-W132 AromaticContact NE1-CZ2 3.84Å; W119-P137 HydrophobicContact CZ2-CB 3.77Å; W119-P137 HydrophobicContact CZ2-CG 4.34Å; W119-L146 HydrophobicContact CE3-CB 4.44Å; W119-L146 HydrophobicContact CE3-CD1 3.84Å; W119-L146 HydrophobicContact CH2-CB 4.43Å; W119-L146 HydrophobicContact CZ3-CB 3.73Å; W119-L146 HydrophobicContact CZ3-CD1 3.83Å; W119-L146 HydrophobicContact CZ3-CG 4.18Å; W119-D156 HydrophobicContact CH2-CB 3.57Å; W119-D156 HydrophobicContact CZ2-CB 3.77Å
120	F	97.5	Very high	95.3	Very high	89 Å²	89	64.7 Å²	64.7	39%	0.39	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	148.9	177.1	-56	-83.6	0	0	0	111.2	G110 S111 E118	G110-F120 CarbonylContact C-O 3.56Å; G110-F120 WeakPolarHBondContact CA-O 3.26Å; S111-F120 PolarHBondContact N-O 2.78Å; S111-F120 PolarHBondContact O-N 3.32Å; E118-F120 HydrophobicContact CB-CE2 3.69Å; E118-F120 HydrophobicContact CB-CZ 3.9Å; E118-F120 WeakPolarHBondContact O-CD2 3.37Å; E118-F120 WeakPolarHBondContact O-CE2 3.22Å
121	W	98.4	Very high	95.2	Very high	7 Å²	7	67 Å²	67	3%	0.027	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	136.4	165	-66.8	123.1	0	0	0	110.5	S82 V83 I108 G109 D123 G124 F127 W154	S82-W121 VanDerWaalsContact CB-CD2 3.43Å; V83-W121 HydrophobicContact CB-CH2 4.1Å; V83-W121 HydrophobicContact CB-CZ2 3.91Å; V83-W121 HydrophobicContact CG2-CH2 3.99Å; V83-W121 HydrophobicContact CG2-CZ2 4.31Å; V83-W121 VanDerWaalsContact N-CZ2 3.33Å; V83-W121 WeakPolarHBondContact O-CZ2 3.2Å; I108-W121 HydrophobicContact CD1-CH2 4.15Å; I108-W121 HydrophobicContact CD1-CZ3 4.28Å; I108-W121 HydrophobicContact CG1-CZ3 4.42Å; G109-W121 VanDerWaalsContact C-CE3 3.4Å; W121-D123 VanDerWaalsContact CB-OD1 3.22Å; W121-D123 WeakPolarHBondContact CB-OD1 3.49Å; W121-D123 PolarHBondContact O-N 2.96Å; W121-D123 VanDerWaalsContact O-N 3.15Å; W121-G124 PolarHBondContact O-N 2.98Å; W121-F127 AromaticContact CD1-CD2 3.78Å; W121-F127 AromaticContact CD2-CD2 3.63Å; W121-F127 HydrophobicContact CD2-CD2 3.63Å; W121-F127 AromaticContact CD2-CE2 3.89Å; W121-F127 HydrophobicContact CD2-CE2 3.89Å; W121-F127 AromaticContact CE2-CD2 3.37Å; W121-F127 AromaticContact CE2-CE2 3.57Å; W121-F127 HydrophobicContact CE3-CD2 4.31Å; W121-F127 HydrophobicContact CE3-CE2 4.16Å; W121-F127 AromaticContact CG-CD2 3.88Å; W121-F127 HydrophobicContact CG-CD2 3.88Å; W121-F127 HydrophobicContact CH2-CD2 4.45Å; W121-F127 AromaticContact CH2-CE2 3.8Å; W121-F127 HydrophobicContact CH2-CE2 3.8Å; W121-F127 AromaticContact CZ2-CD2 3.82Å; W121-F127 HydrophobicContact CZ2-CD2 3.82Å; W121-F127 AromaticContact CZ2-CE2 3.53Å; W121-F127 HydrophobicContact CZ2-CE2 3.53Å; W121-F127 HydrophobicContact CZ2-CZ 4.32Å; W121-F127 HydrophobicContact CZ3-CE2 4.12Å; W121-F127 AromaticContact NE1-CD2 3.48Å; W121-W154 AromaticContact CH2-CH2 3.86Å; W121-W154 HydrophobicContact CH2-CH2 3.86Å; W121-W154 HydrophobicContact CH2-CZ2 4.22Å; W121-W154 HydrophobicContact CH2-CZ3 4.2Å; W121-W154 AromaticContact CZ2-CH2 3.71Å; W121-W154 HydrophobicContact CZ2-CH2 3.71Å; W121-W154 HydrophobicContact CZ2-CZ2 4.37Å; W121-W154 HydrophobicContact CZ2-CZ3 4.17Å
122	S	98.4	Very high	95.1	Very high	37 Å²	37	69 Å²	69	26%	0.259	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-20.3	179.1	64.1	0	0	0	0	114.4	E70 G109 G124	E70-S122 WeakPolarHBondContact OE2-CB 3.44Å; E70-S122 PolarHBondContact OE2-OG 2.65Å; G109-S122 PolarHBondContact O-N 3.22Å; S122-G124 VanDerWaalsContact C-N 3.27Å; S122-G124 PolarHBondContact O-N 3.25Å
123	D	97.8	Very high	95.2	Very high	39 Å²	39	69 Å²	69	21%	0.209	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.2	175.4	75	-10.8	0	0	0	114.1	N79 S82 W121 T125	N79-D123 HydrophobicContact CB-CB 3.62Å; N79-D123 WeakPolarHBondContact ND2-CB 3.08Å; S82-D123 WeakPolarHBondContact CB-OD2 3.41Å; S82-D123 PolarHBondContact OG-OD2 2.86Å; W121-D123 VanDerWaalsContact CB-OD1 3.22Å; W121-D123 WeakPolarHBondContact CB-OD1 3.49Å; W121-D123 PolarHBondContact O-N 2.96Å; W121-D123 VanDerWaalsContact O-N 3.15Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 3.16Å; D123-T125 WeakPolarHBondContact OD1-CB 3.49Å; D123-T125 WeakPolarHBondContact OD1-CG2 2.97Å; D123-T125 PolarHBondContact OD1-N 2.85Å; D123-T125 PolarHBondContact OD1-OG1 3.35Å; D123-T125 WeakPolarHBondContact OD2-CG2 3.43Å; D123-T125 PolarHBondContact OD2-OG1 2.84Å
124	G	97.3	Very high	95.2	Very high	70 Å²	70	72.1 Å²	72.1	72%	0.722	38%	0.384	S	S	*	.	S	Bend	trans	76.6	6.5	178.5	0	0	0	0	0	114.9	W121 S122	W121-G124 PolarHBondContact O-N 2.98Å; S122-G124 VanDerWaalsContact C-N 3.27Å; S122-G124 PolarHBondContact O-N 3.25Å
125	T	97.5	Very high	95.1	Very high	36 Å²	36	66.8 Å²	66.8	22%	0.221	38%	0.377	C	S	.	.			trans	-77.4	158.1	175.3	60.6	0	0	0	0	111.9	H84 D123	H84-T125 PolarHBondContact CE1-OG1 3.05Å; D123-T125 VanDerWaalsContact C-N 3.27Å; D123-T125 PolarHBondContact O-N 3.16Å; D123-T125 WeakPolarHBondContact OD1-CB 3.49Å; D123-T125 WeakPolarHBondContact OD1-CG2 2.97Å; D123-T125 PolarHBondContact OD1-N 2.85Å; D123-T125 PolarHBondContact OD1-OG1 3.35Å; D123-T125 WeakPolarHBondContact OD2-CG2 3.43Å; D123-T125 PolarHBondContact OD2-OG1 2.84Å
126	P	97.1	Very high	95.1	Very high	79 Å²	79	63.2 Å²	63.2	51%	0.513	36%	0.361	S	S	.	.			trans	-64.4	137.7	-179.2	-22.2	33.8	0	0	0	113.9	H128	P126-H128 VanDerWaalsContact CB-CD2 3.49Å; P126-H128 WeakPolarHBondContact CB-CD2 3.19Å; P126-H128 WeakPolarHBondContact CB-NE2 3.07Å; P126-H128 PolarHBondContact O-N 3.24Å
127	F	97.1	Very high	94.8	Very high	36 Å²	36	61.9 Å²	61.9	16%	0.158	36%	0.358	C	S	.	.			trans	-91.4	73.6	176.4	-160.3	-86.4	0	0	0	110.8	W119 W121 T130 W132 L146 W154	W119-F127 HydrophobicContact CB-CD1 3.59Å; W119-F127 HydrophobicContact CB-CD2 4.1Å; W119-F127 HydrophobicContact CB-CE1 3.42Å; W119-F127 VanDerWaalsContact CB-CE1 3.42Å; W119-F127 HydrophobicContact CB-CE2 3.97Å; W119-F127 HydrophobicContact CB-CG 3.94Å; W119-F127 HydrophobicContact CB-CZ 3.63Å; W119-F127 HydrophobicContact CD2-CZ 4.39Å; W119-F127 HydrophobicContact CE3-CZ 4.37Å; W119-F127 HydrophobicContact CG-CE1 4.05Å; W119-F127 HydrophobicContact CG-CZ 4.11Å; W119-F127 WeakPolarHBondContact O-CB 3.31Å; W119-F127 WeakPolarHBondContact O-CG 3.49Å; W121-F127 AromaticContact CD1-CD2 3.78Å; W121-F127 AromaticContact CD2-CD2 3.63Å; W121-F127 HydrophobicContact CD2-CD2 3.63Å; W121-F127 AromaticContact CD2-CE2 3.89Å; W121-F127 HydrophobicContact CD2-CE2 3.89Å; W121-F127 AromaticContact CE2-CD2 3.37Å; W121-F127 AromaticContact CE2-CE2 3.57Å; W121-F127 HydrophobicContact CE3-CD2 4.31Å; W121-F127 HydrophobicContact CE3-CE2 4.16Å; W121-F127 AromaticContact CG-CD2 3.88Å; W121-F127 HydrophobicContact CG-CD2 3.88Å; W121-F127 HydrophobicContact CH2-CD2 4.45Å; W121-F127 AromaticContact CH2-CE2 3.8Å; W121-F127 HydrophobicContact CH2-CE2 3.8Å; W121-F127 AromaticContact CZ2-CD2 3.82Å; W121-F127 HydrophobicContact CZ2-CD2 3.82Å; W121-F127 AromaticContact CZ2-CE2 3.53Å; W121-F127 HydrophobicContact CZ2-CE2 3.53Å; W121-F127 HydrophobicContact CZ2-CZ 4.32Å; W121-F127 HydrophobicContact CZ3-CE2 4.12Å; W121-F127 AromaticContact NE1-CD2 3.48Å; F127-T130 HydrophobicContact CD1-CG2 4.1Å; F127-T130 HydrophobicContact CE1-CG2 3.59Å; F127-T130 HydrophobicContact CZ-CG2 4.48Å; F127-W132 HydrophobicContact CE1-CZ2 4.12Å; F127-W132 AromaticContact CZ-CZ2 4Å; F127-W132 HydrophobicContact CZ-CZ2 4Å; F127-L146 HydrophobicContact CE2-CD1 4.14Å; F127-L146 HydrophobicContact CZ-CD1 3.83Å; F127-W154 HydrophobicContact CE1-CZ3 4.42Å; F127-W154 HydrophobicContact CE2-CZ3 4.47Å; F127-W154 HydrophobicContact CZ-CE3 4.45Å; F127-W154 AromaticContact CZ-CZ3 3.84Å; F127-W154 HydrophobicContact CZ-CZ3 3.84Å
128	H	95.5	Very high	94.4	Very high	165 Å²	165	59.8 Å²	59.8	76%	0.764	35%	0.347	S	S	*	.			trans	-105.7	-32.8	-176.8	-66.3	-31.7	0	0	0	114.5	P126	P126-H128 VanDerWaalsContact CB-CD2 3.49Å; P126-H128 WeakPolarHBondContact CB-CD2 3.19Å; P126-H128 WeakPolarHBondContact CB-NE2 3.07Å; P126-H128 PolarHBondContact O-N 3.24Å
129	Y	96.9	Very high	93.6	Very high	50 Å²	50	57.5 Å²	57.5	20%	0.196	34%	0.337	C	S	.	.			trans	-86.6	132.1	175.7	179	-98.5	0	0	0	109.5	V83 H84 I131 W154	V83-Y129 HydrophobicContact CB-CD1 4.3Å; V83-Y129 HydrophobicContact CG1-CD1 3.61Å; V83-Y129 HydrophobicContact CG1-CE1 3.76Å; H84-Y129 WeakPolarHBondContact O-CB 3.14Å; Y129-I131 HydrophobicContact CE1-CB 4.34Å; Y129-I131 HydrophobicContact CE1-CG2 4.05Å; Y129-W154 AromaticContact CD1-CH2 3.77Å; Y129-W154 HydrophobicContact CD1-CH2 3.77Å; Y129-W154 AromaticContact CD1-CZ2 3.87Å; Y129-W154 HydrophobicContact CD1-CZ2 3.87Å; Y129-W154 HydrophobicContact CE1-CH2 4.25Å; Y129-W154 AromaticContact CE1-CZ2 3.94Å; Y129-W154 HydrophobicContact CE1-CZ2 3.94Å; Y129-W154 WeakPolarHBondContact O-CH2 3.35Å; Y129-W154 WeakPolarHBondContact O-CZ3 3.18Å
130	T	96.1	Very high	92.4	Very high	70 Å²	70	59.1 Å²	59.1	43%	0.429	35%	0.353	S	S	.	.			trans	-138.8	141.7	177.2	63.2	0	0	0	0	111.5	F127 W154	F127-T130 HydrophobicContact CD1-CG2 4.1Å; F127-T130 HydrophobicContact CE1-CG2 3.59Å; F127-T130 HydrophobicContact CZ-CG2 4.48Å; T130-W154 VanDerWaalsContact CA-CZ3 3.48Å; T130-W154 HydrophobicContact CG2-CZ3 4.32Å
131	I	96.4	Very high	91.1	Very high	49 Å²	49	65.1 Å²	65.1	25%	0.251	37%	0.373	S	S	.	.			trans	-139.2	56.8	173.1	-169.2	167.5	0	0	0	110.3	Y89 Y129 N152 C153 W154	Y89-I131 HydrophobicContact CD1-CD1 4.24Å; Y89-I131 HydrophobicContact CD1-CG2 4.13Å; Y89-I131 HydrophobicContact CE1-CD1 4.12Å; Y89-I131 HydrophobicContact CE1-CG2 3.97Å; Y89-I131 HydrophobicContact CG-CG2 4.49Å; Y129-I131 HydrophobicContact CE1-CB 4.34Å; Y129-I131 HydrophobicContact CE1-CG2 4.05Å; I131-N152 WeakPolarHBondContact CD1-O 3.38Å; I131-C153 HydrophobicContact CG1-CB 4.33Å; I131-C153 CarbonylContact O-C 3.36Å; I131-C153 WeakPolarHBondContact O-CA 3.45Å; I131-C153 WeakPolarHBondContact O-CB 3.07Å; I131-W154 HydrophobicContact CG2-CD2 3.72Å; I131-W154 HydrophobicContact CG2-CE3 4.45Å; I131-W154 HydrophobicContact CG2-CG 3.93Å; I131-W154 HydrophobicContact CG2-CZ2 3.76Å; I131-W154 VanDerWaalsContact CG2-NE1 3.31Å; I131-W154 PolarHBondContact O-N 2.86Å
132	W	96.1	Very high	90.1	Very high	57 Å²	57	72.4 Å²	72.4	22%	0.216	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-58.8	144.8	178.3	-61.9	115.5	0	0	0	112.6	W119 F127 E136 P137 L146 W154	W119-W132 AromaticContact CD1-CZ2 3.98Å; W119-W132 AromaticContact CD2-CH2 3.58Å; W119-W132 HydrophobicContact CD2-CH2 3.58Å; W119-W132 AromaticContact CD2-CZ2 3.75Å; W119-W132 HydrophobicContact CD2-CZ2 3.75Å; W119-W132 AromaticContact CE2-CH2 3.38Å; W119-W132 AromaticContact CE2-CZ2 3.7Å; W119-W132 AromaticContact CE3-CH2 3.86Å; W119-W132 HydrophobicContact CE3-CH2 3.86Å; W119-W132 HydrophobicContact CE3-CZ2 4.36Å; W119-W132 HydrophobicContact CG-CH2 4.26Å; W119-W132 AromaticContact CG-CZ2 3.93Å; W119-W132 HydrophobicContact CG-CZ2 3.93Å; W119-W132 AromaticContact CH2-CH2 3.79Å; W119-W132 HydrophobicContact CH2-CH2 3.79Å; W119-W132 HydrophobicContact CH2-CZ3 4.38Å; W119-W132 AromaticContact CZ2-CH2 3.49Å; W119-W132 HydrophobicContact CZ2-CH2 3.49Å; W119-W132 VanDerWaalsContact CZ2-CH2 3.49Å; W119-W132 HydrophobicContact CZ2-CZ2 4.26Å; W119-W132 HydrophobicContact CZ2-CZ3 4.18Å; W119-W132 AromaticContact CZ3-CH2 3.98Å; W119-W132 HydrophobicContact CZ3-CH2 3.98Å; W119-W132 AromaticContact NE1-CH2 3.95Å; W119-W132 AromaticContact NE1-CZ2 3.84Å; F127-W132 HydrophobicContact CE1-CZ2 4.12Å; F127-W132 AromaticContact CZ-CZ2 4Å; F127-W132 HydrophobicContact CZ-CZ2 4Å; W132-E136 HydrophobicContact CB-CB 4.35Å; W132-E136 WeakPolarHBondContact CB-O 3.37Å; W132-E136 HydrophobicContact CE3-CB 4.18Å; W132-P137 HydrophobicContact CD2-CG 4.42Å; W132-P137 HydrophobicContact CE3-CB 4.3Å; W132-P137 HydrophobicContact CH2-CB 4.15Å; W132-P137 HydrophobicContact CH2-CG 4.3Å; W132-P137 HydrophobicContact CZ2-CG 4.17Å; W132-P137 HydrophobicContact CZ3-CB 4.04Å; W132-P137 HydrophobicContact CZ3-CG 4.49Å; W132-L146 HydrophobicContact CH2-CD1 3.31Å; W132-L146 HydrophobicContact CH2-CG 4.11Å; W132-L146 HydrophobicContact CZ2-CD1 4.04Å; W132-L146 HydrophobicContact CZ3-CD1 3.76Å; W132-L146 HydrophobicContact CZ3-CG 4.12Å; W132-W154 HydrophobicContact CE3-CB 3.89Å; W132-W154 HydrophobicContact CZ3-CB 4.13Å
133	C	95.3	Very high	89.4	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.02	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-69.8	156.9	169.9	-65.6	0	0	0	0	110.6	G135 E136 R151 C153 W154	C133-G135 PolarHBondContact O-N 3.38Å; C133-G135 VanDerWaalsContact O-N 3.07Å; C133-E136 HydrophobicContact CB-CB 4.49Å; C133-E136 HydrophobicContact CB-CG 3.89Å; C133-E136 WeakPolarHBondContact O-CB 3.35Å; C133-E136 PolarHBondContact O-N 3.35Å; C133-R151 PolarHBondContact SG-NE 3.09Å; C133-R151 PolarHBondContact SG-NH2 2.99Å; C133-C153 WeakPolarHBondContact CA-SG 3.42Å; C133-C153 HydrophobicContact CB-CB 3.94Å; C133-C153 WeakPolarHBondContact CB-SG 3.48Å; C133-C153 WeakPolarHBondContact SG-CB 3.35Å; C133-C153 CovalentContact SG-SG 2.03Å; C133-C153 PolarHBondContact SG-SG 3.13Å; C133-W154 WeakPolarHBondContact CB-O 3.25Å; C133-W154 PolarHBondContact N-O 3.27Å; C133-W154 PolarHBondContact SG-O 3.32Å
134	P	93.6	Very high	89.1	Confident	128 Å²	128	71.2 Å²	71.2	83%	0.831	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	119.8	178.1	-25.8	34.8	0	0	0	111.3
135	G	87.8	Confident	89.1	Confident	67 Å²	67	67.9 Å²	67.9	69%	0.691	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	-2.7	-178	0	0	0	0	0	115.5	C133 N138	C133-G135 PolarHBondContact O-N 3.38Å; C133-G135 VanDerWaalsContact O-N 3.07Å; G135-N138 WeakPolarHBondContact O-CB 3.32Å
136	E	89.7	Confident	89	Confident	34 Å²	34	66.2 Å²	66.2	16%	0.159	35%	0.349	C	S	.	.			trans	-103	157.1	178.7	-54.6	-53.9	163.7	0	0	112.8	W132 C133 N138 D155 D156	W132-E136 HydrophobicContact CB-CB 4.35Å; W132-E136 WeakPolarHBondContact CB-O 3.37Å; W132-E136 HydrophobicContact CE3-CB 4.18Å; C133-E136 HydrophobicContact CB-CB 4.49Å; C133-E136 HydrophobicContact CB-CG 3.89Å; C133-E136 WeakPolarHBondContact O-CB 3.35Å; C133-E136 PolarHBondContact O-N 3.35Å; E136-N138 VanDerWaalsContact CD-ND2 3.27Å; E136-N138 PolarHBondContact OE1-ND2 3.42Å; E136-N138 VanDerWaalsContact OE2-CB 3.25Å; E136-N138 WeakPolarHBondContact OE2-CB 3.34Å; E136-N138 PolarHBondContact OE2-N 3.01Å; E136-N138 PolarHBondContact OE2-ND2 3.03Å; E136-D155 VanDerWaalsContact CD-OD1 3.23Å; E136-D155 HydrophobicContact CG-CB 4.37Å; E136-D156 VanDerWaalsContact OE2-OD1 3.09Å
137	P	83.3	Confident	89.1	Confident	44 Å²	44	64.1 Å²	64.1	29%	0.286	33%	0.331	S	S	.	.			cis	-73.1	134.6	-8.3	31.2	-32.2	0	0	0	111.1	W119 W132 D156	W119-P137 HydrophobicContact CZ2-CB 3.77Å; W119-P137 HydrophobicContact CZ2-CG 4.34Å; W132-P137 HydrophobicContact CD2-CG 4.42Å; W132-P137 HydrophobicContact CE3-CB 4.3Å; W132-P137 HydrophobicContact CH2-CB 4.15Å; W132-P137 HydrophobicContact CH2-CG 4.3Å; W132-P137 HydrophobicContact CZ2-CG 4.17Å; W132-P137 HydrophobicContact CZ3-CB 4.04Å; W132-P137 HydrophobicContact CZ3-CG 4.49Å; P137-D156 VanDerWaalsContact CA-OD1 3.25Å; P137-D156 WeakPolarHBondContact CA-OD1 3.4Å; P137-D156 HydrophobicContact CB-CB 4.29Å
138	N	81.5	Confident	89	Confident	77 Å²	77	62.4 Å²	62.4	41%	0.412	32%	0.324	S	S	.	.			trans	-103.1	-8.9	-175.6	71.2	37.9	0	0	0	113.7	G135 E136 S140 Q143 D156	G135-N138 WeakPolarHBondContact O-CB 3.32Å; E136-N138 VanDerWaalsContact CD-ND2 3.27Å; E136-N138 PolarHBondContact OE1-ND2 3.42Å; E136-N138 VanDerWaalsContact OE2-CB 3.25Å; E136-N138 WeakPolarHBondContact OE2-CB 3.34Å; E136-N138 PolarHBondContact OE2-N 3.01Å; E136-N138 PolarHBondContact OE2-ND2 3.03Å; N138-S140 PolarHBondContact O-N 2.75Å; N138-S140 VanDerWaalsContact O-N 3.1Å; N138-S140 WeakPolarHBondContact OD1-CA 3.49Å; N138-S140 WeakPolarHBondContact OD1-CB 3.3Å; N138-S140 PolarHBondContact OD1-N 3.28Å; N138-Q143 PolarHBondContact OD1-OE1 3.01Å; N138-D156 PolarHBondContact N-OD1 3.39Å
139	N	76.3	Confident	89	Confident	44 Å²	44	55 Å²	55	24%	0.235	29%	0.292	C	S	.	.			trans	46.9	36.3	-176.5	-170.1	23.7	0	0	0	113.8	E116 R141 K142 Q143 D156	E116-N139 WeakPolarHBondContact OE1-CB 3.45Å; E116-N139 PolarHBondContact OE1-ND2 3.33Å; E116-N139 PolarHBondContact OE2-ND2 3.4Å; N139-R141 PolarHBondContact O-N 3.36Å; N139-K142 PolarHBondContact O-N 3.09Å; N139-K142 WeakPolarHBondContact OD1-CA 3.44Å; N139-K142 PolarHBondContact OD1-N 3Å; N139-Q143 PolarHBondContact OD1-N 3.39Å; N139-D156 VanDerWaalsContact CA-OD2 3.27Å; N139-D156 WeakPolarHBondContact CA-OD2 3.48Å; N139-D156 PolarHBondContact N-OD2 3.5Å
140	S	71	Confident	88.6	Confident	61 Å²	61	55.2 Å²	55.2	43%	0.427	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	103.8	-175.7	-178.5	0	0	0	0	110.1	N138 Q143 Q158	N138-S140 PolarHBondContact O-N 2.75Å; N138-S140 VanDerWaalsContact O-N 3.1Å; N138-S140 WeakPolarHBondContact OD1-CA 3.49Å; N138-S140 WeakPolarHBondContact OD1-CB 3.3Å; N138-S140 PolarHBondContact OD1-N 3.28Å; S140-Q143 VanDerWaalsContact CB-OE1 3.32Å; S140-Q143 VanDerWaalsContact N-OE1 3.11Å; S140-Q143 WeakPolarHBondContact O-CG 3.38Å; S140-Q143 PolarHBondContact O-OE1 3.17Å; S140-Q158 PolarHBondContact O-NE2 2.71Å; S140-Q158 VanDerWaalsContact O-NE2 3.12Å
141	R	69.3	Low	88.4	Confident	214 Å²	214	57.5 Å²	57.5	81%	0.808	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	48	-177.8	-44.4	172.4	175.1	-176.6	-2.3	113	N139	N139-R141 PolarHBondContact O-N 3.36Å
142	K	78.3	Confident	88.2	Confident	160 Å²	160	60.9 Å²	60.9	70%	0.696	33%	0.329	S	S	*	.	S	Bend	trans	66.9	55.6	173	-55.8	-176.2	178.2	-172.4	0	112.6	N139 H144	N139-K142 PolarHBondContact O-N 3.09Å; N139-K142 WeakPolarHBondContact OD1-CA 3.44Å; N139-K142 PolarHBondContact OD1-N 3Å; K142-H144 PolarHBondContact O-N 2.92Å
143	Q	82.6	Confident	88.2	Confident	13 Å²	13	59 Å²	59	6%	0.061	32%	0.324	C	S	.	.			trans	-92.1	97.2	179.6	-76.8	178.4	-49.5	0	0	108.8	N138 N139 S140 D156 F157 Q158	N138-Q143 PolarHBondContact OD1-OE1 3.01Å; N139-Q143 PolarHBondContact OD1-N 3.39Å; S140-Q143 VanDerWaalsContact CB-OE1 3.32Å; S140-Q143 VanDerWaalsContact N-OE1 3.11Å; S140-Q143 WeakPolarHBondContact O-CG 3.38Å; S140-Q143 PolarHBondContact O-OE1 3.17Å; Q143-D156 HydrophobicContact CB-CB 4.01Å; Q143-D156 WeakPolarHBondContact CB-OD2 3.37Å; Q143-D156 PolarHBondContact NE2-O 2.88Å; Q143-D156 WeakPolarHBondContact O-CB 3.3Å; Q143-D156 VanDerWaalsContact O-OD2 3.08Å; Q143-F157 VanDerWaalsContact NE2-CD2 3.34Å; Q143-Q158 VanDerWaalsContact CG-CD 3.45Å; Q143-Q158 HydrophobicContact CG-CG 3.89Å
144	H	92.3	Very high	88.2	Confident	38 Å²	38	58.9 Å²	58.9	18%	0.176	32%	0.323	C	S	.	.			trans	-110.9	6.9	-172.8	-55.9	-57	0	0	0	115	S111 D112 A113 E116 K142 F157	S111-H144 WeakPolarHBondContact CA-O 3.1Å; S111-H144 VanDerWaalsContact CB-O 3.27Å; S111-H144 WeakPolarHBondContact CB-O 3.37Å; S111-H144 PolarHBondContact OG-O 2.77Å; D112-H144 PolarHBondContact N-O 2.95Å; D112-H144 WeakPolarHBondContact OD1-CA 3.37Å; D112-H144 WeakPolarHBondContact OD1-CB 3.06Å; D112-H144 IonicContact OD1-CG 3.99Å; D112-H144 IonicContact OD1-ND1 3.64Å; D112-H144 PolarHBondContact OD1-ND1 3.45Å; D112-H144 IonicContact OD2-ND1 3.08Å; A113-H144 HydrophobicContact CB-CB 3.73Å; E116-H144 IonicContact OE2-CE1 2.99Å; E116-H144 PolarHBondContact OE2-CE1 3.49Å; E116-H144 IonicContact OE2-ND1 3.44Å; K142-H144 PolarHBondContact O-N 2.92Å; H144-F157 PolarHBondContact N-O 2.9Å
145	C	96.9	Very high	88.2	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.007	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127	-171	-72.7	0	0	0	0	111.9	W66 W107 F157 C159	W66-C145 HydrophobicContact CB-CB 3.95Å; W66-C145 VanDerWaalsContact CB-SG 3.52Å; W66-C145 HydrophobicContact CD2-CB 4.47Å; W66-C145 HydrophobicContact CG-CB 3.75Å; W107-C145 HydrophobicContact CE3-CB 4.46Å; W107-C145 HydrophobicContact CH2-CB 4.37Å; W107-C145 HydrophobicContact CZ3-CB 4.02Å; W107-C145 WeakPolarHBondContact CZ3-O 3.49Å; C145-F157 PolarHBondContact N-O 3.39Å; C145-F157 PolarHBondContact O-N 3.19Å; C145-C159 HydrophobicContact CB-CB 3.9Å; C145-C159 WeakPolarHBondContact CB-SG 3.19Å; C145-C159 WeakPolarHBondContact SG-CB 3.25Å; C145-C159 CovalentContact SG-SG 2.03Å; C145-C159 PolarHBondContact SG-SG 2.92Å
146	L	96.9	Very high	88.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	133.3	-170.7	-153.4	148.3	0	0	0	111.7	I108 G110 W119 F127 W132 W154	I108-L146 HydrophobicContact CD1-CD2 3.21Å; I108-L146 HydrophobicContact CG1-CB 4.43Å; I108-L146 HydrophobicContact CG1-CD2 3.28Å; I108-L146 HydrophobicContact CG1-CG 4.47Å; I108-L146 PolarHBondContact N-O 2.92Å; I108-L146 VanDerWaalsContact N-O 3.16Å; G110-L146 VanDerWaalsContact O-CB 3.26Å; G110-L146 WeakPolarHBondContact O-CB 3.26Å; G110-L146 PolarHBondContact O-N 3.45Å; W119-L146 HydrophobicContact CE3-CB 4.44Å; W119-L146 HydrophobicContact CE3-CD1 3.84Å; W119-L146 HydrophobicContact CH2-CB 4.43Å; W119-L146 HydrophobicContact CZ3-CB 3.73Å; W119-L146 HydrophobicContact CZ3-CD1 3.83Å; W119-L146 HydrophobicContact CZ3-CG 4.18Å; F127-L146 HydrophobicContact CE2-CD1 4.14Å; F127-L146 HydrophobicContact CZ-CD1 3.83Å; W132-L146 HydrophobicContact CH2-CD1 3.31Å; W132-L146 HydrophobicContact CH2-CG 4.11Å; W132-L146 HydrophobicContact CZ2-CD1 4.04Å; W132-L146 HydrophobicContact CZ3-CD1 3.76Å; W132-L146 HydrophobicContact CZ3-CG 4.12Å; L146-W154 HydrophobicContact CD1-CD2 4.28Å; L146-W154 HydrophobicContact CD1-CE3 3.76Å; L146-W154 HydrophobicContact CD1-CZ3 4.29Å; L146-W154 HydrophobicContact CD2-CB 3.82Å; L146-W154 HydrophobicContact CD2-CD2 3.79Å; L146-W154 HydrophobicContact CD2-CE3 4.11Å; L146-W154 HydrophobicContact CD2-CG 3.65Å; L146-W154 HydrophobicContact CG-CB 4.25Å; L146-W154 HydrophobicContact CG-CG 4.49Å
147	Y	97.2	Very high	88.4	Confident	35 Å²	35	51.1 Å²	51.1	14%	0.137	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.2	170.7	81.3	-77.5	0	0	0	112.3	A105 T106 W107 D155 F157 K163	A105-Y147 HydrophobicContact CB-CD2 3.8Å; A105-Y147 HydrophobicContact CB-CE2 3.9Å; T106-Y147 VanDerWaalsContact O-CA 3.32Å; T106-Y147 WeakPolarHBondContact O-CA 3.41Å; T106-Y147 WeakPolarHBondContact O-CB 3.48Å; W107-Y147 HydrophobicContact CZ3-CD1 4.31Å; W107-Y147 HydrophobicContact CZ3-CG 4.35Å; Y147-D155 HydrophobicContact CD1-CB 4.12Å; Y147-D155 WeakPolarHBondContact CD1-O 3.21Å; Y147-D155 HydrophobicContact CE1-CB 3.4Å; Y147-D155 PolarHBondContact N-O 3.3Å; Y147-D155 PolarHBondContact O-N 2.77Å; Y147-D155 PolarHBondContact OH-OD2 2.62Å; Y147-F157 HydrophobicContact CD1-CB 3.66Å; Y147-F157 HydrophobicContact CD1-CG 4.4Å; Y147-F157 HydrophobicContact CE1-CB 3.76Å; Y147-F157 HydrophobicContact CE1-CD2 4.07Å; Y147-F157 HydrophobicContact CE1-CG 4.15Å; Y147-K163 HydrophobicContact CD2-CD 4.38Å; Y147-K163 HydrophobicContact CG-CD 4.26Å
148	T	96.9	Very high	89	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	156.7	166.3	-176.5	0	0	0	0	109.6	Y89 I96 A105 T106 I108	Y89-T148 WeakPolarHBondContact CE2-OG1 3.3Å; Y89-T148 PolarHBondContact OH-OG1 3.18Å; I96-T148 HydrophobicContact CD1-CG2 3.82Å; A105-T148 CarbonylContact C-O 3.49Å; A105-T148 VanDerWaalsContact CA-O 3.28Å; A105-T148 WeakPolarHBondContact CA-O 3.5Å; T106-T148 PolarHBondContact N-O 3.13Å; T106-T148 PolarHBondContact O-N 3.32Å; I108-T148 HydrophobicContact CG2-CG2 4.36Å
149	G	93.7	Very high	89.7	Confident	9 Å²	9	47.9 Å²	47.9	9%	0.093	24%	0.24	C	C	.	.			trans	-158.3	-139.9	-176	0	0	0	0	0	112.9	K93 Y103 R151	K93-G149 PolarHBondContact NZ-O 2.76Å; Y103-G149 CarbonylContact O-C 3.46Å; G149-R151 VanDerWaalsContact C-N 3.27Å; G149-R151 PolarHBondContact O-N 3.18Å
150	G	89.9	Confident	90.6	Very high	54 Å²	54	53.1 Å²	53.1	56%	0.557	26%	0.257	S	S	*	.	S	Bend	trans	-58.5	-34.4	178.3	0	0	0	0	0	114.5	Y103	Y103-G150 PolarHBondContact O-N 2.9Å
151	R	91.4	Very high	91.9	Very high	119 Å²	119	53.5 Å²	53.5	45%	0.449	25%	0.252	S	S	.	.	S	Bend	trans	-76.7	155.6	179.5	-54.6	-173.7	-58.2	-152.2	0.1	111.2	K93 C133 G149 C153 D155	K93-R151 PolarHBondContact NZ-O 3.24Å; C133-R151 PolarHBondContact SG-NE 3.09Å; C133-R151 PolarHBondContact SG-NH2 2.99Å; G149-R151 VanDerWaalsContact C-N 3.27Å; G149-R151 PolarHBondContact O-N 3.18Å; R151-C153 PolarHBondContact O-N 2.78Å; R151-D155 IonicContact CZ-OD2 3.86Å; R151-D155 VanDerWaalsContact NH2-CB 3.33Å; R151-D155 VanDerWaalsContact NH2-CG 3.29Å; R151-D155 IonicContact NH2-OD2 2.8Å; R151-D155 PolarHBondContact NH2-OD2 3.14Å
152	N	92.1	Very high	93.2	Very high	119 Å²	119	48.8 Å²	48.8	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-88	39	175	-69.6	-27.5	0	0	0	111.8	I131	I131-N152 WeakPolarHBondContact CD1-O 3.38Å
153	C	95.9	Very high	94.2	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.128	21%	0.211	C	C	.	.	S	Bend	trans	-155.9	168.7	-177.1	54.7	0	0	0	0	109.9	Y89 I131 C133 R151	Y89-C153 PolarHBondContact OH-N 2.9Å; Y89-C153 VanDerWaalsContact OH-N 3.17Å; Y89-C153 PolarHBondContact OH-O 3.35Å; I131-C153 HydrophobicContact CG1-CB 4.33Å; I131-C153 CarbonylContact O-C 3.36Å; I131-C153 WeakPolarHBondContact O-CA 3.45Å; I131-C153 WeakPolarHBondContact O-CB 3.07Å; C133-C153 WeakPolarHBondContact CA-SG 3.42Å; C133-C153 HydrophobicContact CB-CB 3.94Å; C133-C153 WeakPolarHBondContact CB-SG 3.48Å; C133-C153 WeakPolarHBondContact SG-CB 3.35Å; C133-C153 CovalentContact SG-SG 2.03Å; C133-C153 PolarHBondContact SG-SG 3.13Å; R151-C153 PolarHBondContact O-N 2.78Å
154	W	95.4	Very high	95	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	159.1	-177.7	-57	-20.2	0	0	0	112.8	V83 Y89 W121 F127 Y129 T130 I131 W132 C133 L146	V83-W154 HydrophobicContact CB-CH2 4.1Å; V83-W154 HydrophobicContact CB-CZ2 3.67Å; V83-W154 HydrophobicContact CG1-CZ2 3.89Å; V83-W154 HydrophobicContact CG2-CZ2 3.87Å; Y89-W154 AromaticContact CD2-NE1 3.48Å; Y89-W154 AromaticContact CE2-CD1 3.62Å; Y89-W154 AromaticContact CE2-NE1 3.13Å; Y89-W154 AromaticContact CZ-CD1 3.85Å; Y89-W154 AromaticContact CZ-NE1 3.68Å; W121-W154 AromaticContact CH2-CH2 3.86Å; W121-W154 HydrophobicContact CH2-CH2 3.86Å; W121-W154 HydrophobicContact CH2-CZ2 4.22Å; W121-W154 HydrophobicContact CH2-CZ3 4.2Å; W121-W154 AromaticContact CZ2-CH2 3.71Å; W121-W154 HydrophobicContact CZ2-CH2 3.71Å; W121-W154 HydrophobicContact CZ2-CZ2 4.37Å; W121-W154 HydrophobicContact CZ2-CZ3 4.17Å; F127-W154 HydrophobicContact CE1-CZ3 4.42Å; F127-W154 HydrophobicContact CE2-CZ3 4.47Å; F127-W154 HydrophobicContact CZ-CE3 4.45Å; F127-W154 AromaticContact CZ-CZ3 3.84Å; F127-W154 HydrophobicContact CZ-CZ3 3.84Å; Y129-W154 AromaticContact CD1-CH2 3.77Å; Y129-W154 HydrophobicContact CD1-CH2 3.77Å; Y129-W154 AromaticContact CD1-CZ2 3.87Å; Y129-W154 HydrophobicContact CD1-CZ2 3.87Å; Y129-W154 HydrophobicContact CE1-CH2 4.25Å; Y129-W154 AromaticContact CE1-CZ2 3.94Å; Y129-W154 HydrophobicContact CE1-CZ2 3.94Å; Y129-W154 WeakPolarHBondContact O-CH2 3.35Å; Y129-W154 WeakPolarHBondContact O-CZ3 3.18Å; T130-W154 VanDerWaalsContact CA-CZ3 3.48Å; T130-W154 HydrophobicContact CG2-CZ3 4.32Å; I131-W154 HydrophobicContact CG2-CD2 3.72Å; I131-W154 HydrophobicContact CG2-CE3 4.45Å; I131-W154 HydrophobicContact CG2-CG 3.93Å; I131-W154 HydrophobicContact CG2-CZ2 3.76Å; I131-W154 VanDerWaalsContact CG2-NE1 3.31Å; I131-W154 PolarHBondContact O-N 2.86Å; W132-W154 HydrophobicContact CE3-CB 3.89Å; W132-W154 HydrophobicContact CZ3-CB 4.13Å; C133-W154 WeakPolarHBondContact CB-O 3.25Å; C133-W154 PolarHBondContact N-O 3.27Å; C133-W154 PolarHBondContact SG-O 3.32Å; L146-W154 HydrophobicContact CD1-CD2 4.28Å; L146-W154 HydrophobicContact CD1-CE3 3.76Å; L146-W154 HydrophobicContact CD1-CZ3 4.29Å; L146-W154 HydrophobicContact CD2-CB 3.82Å; L146-W154 HydrophobicContact CD2-CD2 3.79Å; L146-W154 HydrophobicContact CD2-CE3 4.11Å; L146-W154 HydrophobicContact CD2-CG 3.65Å; L146-W154 HydrophobicContact CG-CB 4.25Å; L146-W154 HydrophobicContact CG-CG 4.49Å
155	D	93.6	Very high	95.3	Very high	14 Å²	14	40.6 Å²	40.6	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	144.7	179.5	-171.7	-1.3	0	0	0	108	E136 Y147 R151	E136-D155 VanDerWaalsContact CD-OD1 3.23Å; E136-D155 HydrophobicContact CG-CB 4.37Å; Y147-D155 HydrophobicContact CD1-CB 4.12Å; Y147-D155 WeakPolarHBondContact CD1-O 3.21Å; Y147-D155 HydrophobicContact CE1-CB 3.4Å; Y147-D155 PolarHBondContact N-O 3.3Å; Y147-D155 PolarHBondContact O-N 2.77Å; Y147-D155 PolarHBondContact OH-OD2 2.62Å; R151-D155 IonicContact CZ-OD2 3.86Å; R151-D155 VanDerWaalsContact NH2-CB 3.33Å; R151-D155 VanDerWaalsContact NH2-CG 3.29Å; R151-D155 IonicContact NH2-OD2 2.8Å; R151-D155 PolarHBondContact NH2-OD2 3.14Å
156	D	89.4	Confident	95.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	145.6	173.6	59	-50.5	0	0	0	110.3	W119 E136 P137 N138 N139 Q143	W119-D156 HydrophobicContact CH2-CB 3.57Å; W119-D156 HydrophobicContact CZ2-CB 3.77Å; E136-D156 VanDerWaalsContact OE2-OD1 3.09Å; P137-D156 VanDerWaalsContact CA-OD1 3.25Å; P137-D156 WeakPolarHBondContact CA-OD1 3.4Å; P137-D156 HydrophobicContact CB-CB 4.29Å; N138-D156 PolarHBondContact N-OD1 3.39Å; N139-D156 VanDerWaalsContact CA-OD2 3.27Å; N139-D156 WeakPolarHBondContact CA-OD2 3.48Å; N139-D156 PolarHBondContact N-OD2 3.5Å; Q143-D156 HydrophobicContact CB-CB 4.01Å; Q143-D156 WeakPolarHBondContact CB-OD2 3.37Å; Q143-D156 PolarHBondContact NE2-O 2.88Å; Q143-D156 WeakPolarHBondContact O-CB 3.3Å; Q143-D156 VanDerWaalsContact O-OD2 3.08Å
157	F	93.2	Very high	95.5	Very high	52 Å²	52	40.5 Å²	40.5	23%	0.228	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	162.5	-178.4	-150.3	-108.4	0	0	0	112	W107 Q143 H144 C145 Y147 C159 H161	W107-F157 HydrophobicContact CH2-CB 3.84Å; W107-F157 HydrophobicContact CH2-CD1 4.1Å; W107-F157 HydrophobicContact CH2-CG 4.46Å; W107-F157 HydrophobicContact CZ3-CB 3.98Å; Q143-F157 VanDerWaalsContact NE2-CD2 3.34Å; H144-F157 PolarHBondContact N-O 2.9Å; C145-F157 PolarHBondContact N-O 3.39Å; C145-F157 PolarHBondContact O-N 3.19Å; Y147-F157 HydrophobicContact CD1-CB 3.66Å; Y147-F157 HydrophobicContact CD1-CG 4.4Å; Y147-F157 HydrophobicContact CE1-CB 3.76Å; Y147-F157 HydrophobicContact CE1-CD2 4.07Å; Y147-F157 HydrophobicContact CE1-CG 4.15Å; F157-C159 PolarHBondContact O-N 2.84Å; F157-H161 HydrophobicContact CD1-CB 4.01Å; F157-H161 AromaticContact CD1-CD2 3.7Å; F157-H161 AromaticContact CD1-CG 3.99Å; F157-H161 HydrophobicContact CE1-CB 3.92Å; F157-H161 AromaticContact CE1-CD2 3.27Å; F157-H161 WeakPolarHBondContact CE1-CD2 3.14Å; F157-H161 AromaticContact CE1-CG 3.49Å; F157-H161 VanDerWaalsContact CE1-CG 3.49Å; F157-H161 AromaticContact CE1-NE2 3.75Å
158	Q	94.8	Very high	95.5	Very high	18 Å²	18	39 Å²	39	8%	0.084	20%	0.198	C	C	.	.			trans	-69.5	122	-177.8	-55.7	79.7	-2.7	0	0	109.1	S140 Q143 Y160 H161	S140-Q158 PolarHBondContact O-NE2 2.71Å; S140-Q158 VanDerWaalsContact O-NE2 3.12Å; Q143-Q158 VanDerWaalsContact CG-CD 3.45Å; Q143-Q158 HydrophobicContact CG-CG 3.89Å; Q158-Y160 HydrophobicContact CB-CD1 3.93Å; Q158-Y160 HydrophobicContact CB-CE1 3.41Å; Q158-Y160 VanDerWaalsContact CB-CE1 3.41Å; Q158-Y160 HydrophobicContact CB-CE2 4.44Å; Q158-Y160 HydrophobicContact CG-CE1 4.04Å; Q158-Y160 PolarHBondContact O-N 3.07Å; Q158-H161 PolarHBondContact O-N 2.03Å; Q158-H161 VanDerWaalsContact O-N 3.09Å
159	C	96.3	Very high	95.6	Very high	35 Å²	35	41 Å²	41	24%	0.236	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.5	-169	-60.8	0	0	0	0	115.2	S65 W66 C145 F157 H161	S65-C159 WeakPolarHBondContact CB-O 3.27Å; W66-C159 HydrophobicContact CB-CB 4.31Å; W66-C159 PolarHBondContact N-O 3.31Å; C145-C159 HydrophobicContact CB-CB 3.9Å; C145-C159 WeakPolarHBondContact CB-SG 3.19Å; C145-C159 WeakPolarHBondContact SG-CB 3.25Å; C145-C159 CovalentContact SG-SG 2.03Å; C145-C159 PolarHBondContact SG-SG 2.92Å; F157-C159 PolarHBondContact O-N 2.84Å; C159-H161 VanDerWaalsContact C-N 3.32Å
160	Y	95.9	Very high	95.7	Very high	153 Å²	153	50.8 Å²	50.8	60%	0.6	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.2	-178.9	61.7	-103.9	0	0	0	113.5	Q158	Q158-Y160 HydrophobicContact CB-CD1 3.93Å; Q158-Y160 HydrophobicContact CB-CE1 3.41Å; Q158-Y160 VanDerWaalsContact CB-CE1 3.41Å; Q158-Y160 HydrophobicContact CB-CE2 4.44Å; Q158-Y160 HydrophobicContact CG-CE1 4.04Å; Q158-Y160 PolarHBondContact O-N 3.07Å
161	H	97.2	Very high	95.8	Very high	70 Å²	70	49 Å²	49	32%	0.324	22%	0.221	S	C	.	.	S	Bend	trans	-68	148.9	176.8	-79.4	-82.9	0	0	0	112	S65 W107 F157 Q158 C159	S65-H161 WeakPolarHBondContact CA-O 3.49Å; W107-H161 HydrophobicContact CZ2-CB 4.21Å; W107-H161 VanDerWaalsContact CZ2-O 3.3Å; W107-H161 WeakPolarHBondContact CZ2-O 3.18Å; W107-H161 PolarHBondContact NE1-O 3.2Å; F157-H161 HydrophobicContact CD1-CB 4.01Å; F157-H161 AromaticContact CD1-CD2 3.7Å; F157-H161 AromaticContact CD1-CG 3.99Å; F157-H161 HydrophobicContact CE1-CB 3.92Å; F157-H161 AromaticContact CE1-CD2 3.27Å; F157-H161 WeakPolarHBondContact CE1-CD2 3.14Å; F157-H161 AromaticContact CE1-CG 3.49Å; F157-H161 VanDerWaalsContact CE1-CG 3.49Å; F157-H161 AromaticContact CE1-NE2 3.75Å; Q158-H161 PolarHBondContact O-N 2.03Å; Q158-H161 VanDerWaalsContact O-N 3.09Å; C159-H161 VanDerWaalsContact C-N 3.32Å
162	H	98.3	Very high	95.3	Very high	114 Å²	114	47.6 Å²	47.6	53%	0.528	23%	0.226	S	C	.	.			trans	-91.7	119.1	-179.5	-60.3	107.7	0	0	0	110.4	P63 M64 S65	P63-H162 HydrophobicContact CB-CB 3.89Å; M64-H162 WeakPolarHBondContact O-CA 3.28Å; S65-H162 PolarHBondContact N-CD2 3.1Å
163	K	98.5	Very high	95.5	Very high	24 Å²	24	44 Å²	44	10%	0.104	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154	172.2	-56.4	-178.4	-166.6	-79.4	0	110.1	P63 M64 A105 W107 Y147	P63-K163 WeakPolarHBondContact CA-O 3.29Å; M64-K163 PolarHBondContact N-O 2.99Å; M64-K163 PolarHBondContact O-N 3Å; A105-K163 HydrophobicContact CB-CD 4.22Å; W107-K163 HydrophobicContact CD2-CB 4.09Å; W107-K163 HydrophobicContact CD2-CD 3.8Å; W107-K163 HydrophobicContact CD2-CG 4.23Å; W107-K163 HydrophobicContact CE3-CD 3.93Å; W107-K163 HydrophobicContact CG-CB 4.04Å; W107-K163 HydrophobicContact CH2-CD 3.84Å; W107-K163 HydrophobicContact CH2-CG 4.46Å; W107-K163 HydrophobicContact CZ2-CB 4.41Å; W107-K163 HydrophobicContact CZ2-CD 3.69Å; W107-K163 HydrophobicContact CZ2-CG 3.84Å; W107-K163 HydrophobicContact CZ3-CD 3.94Å; Y147-K163 HydrophobicContact CD2-CD 4.38Å; Y147-K163 HydrophobicContact CG-CD 4.26Å
164	P	98.7	Very high	95.4	Very high	14 Å²	14	45.3 Å²	45.3	9%	0.091	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	168.1	160.7	-23.3	34.6	0	0	0	111.3	Y59 I60 T106 W107	Y59-P164 HydrophobicContact CE2-CB 3.6Å; Y59-P164 VanDerWaalsContact OH-CB 3.25Å; Y59-P164 WeakPolarHBondContact OH-CB 3.35Å; Y59-P164 WeakPolarHBondContact OH-CG 3.25Å; I60-P164 WeakPolarHBondContact O-CA 3.47Å; I60-P164 WeakPolarHBondContact O-CB 3.26Å; T106-P164 CarbonylContact C-O 3.56Å; T106-P164 WeakPolarHBondContact CA-O 3.46Å; T106-P164 HydrophobicContact CG2-CB 4.41Å; W107-P164 PolarHBondContact N-O 2.88Å
165	S	98.9	Very high	95.4	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	164.5	178.1	65.6	0	0	0	0	113.3	Y59 I60 L80 W107	Y59-S165 WeakPolarHBondContact CD2-O 3.47Å; I60-S165 PolarHBondContact N-O 3.01Å; I60-S165 PolarHBondContact O-N 2.93Å; I60-S165 VanDerWaalsContact O-N 3.08Å; L80-S165 VanDerWaalsContact CD2-CB 3.47Å; W107-S165 WeakPolarHBondContact O-CA 3.25Å
166	V	98.8	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.1	164.5	-176	0	0	0	0	108.8	F57 R58 Y59 L80 A81 I92 L95 I96 T106 W107	F57-V166 HydrophobicContact CB-CG1 4.31Å; F57-V166 HydrophobicContact CD1-CG1 4.34Å; R58-V166 CarbonylContact O-C 3.59Å; R58-V166 WeakPolarHBondContact O-CA 3.37Å; Y59-V166 HydrophobicContact CD2-CG2 4.08Å; L80-V166 WeakPolarHBondContact CA-O 3.45Å; A81-V166 HydrophobicContact CB-CB 3.97Å; A81-V166 HydrophobicContact CB-CG1 3.84Å; A81-V166 WeakPolarHBondContact CB-O 3.41Å; A81-V166 PolarHBondContact N-O 2.81Å; I92-V166 HydrophobicContact CG1-CG1 4.46Å; I92-V166 HydrophobicContact CG2-CG2 4.16Å; L95-V166 HydrophobicContact CD2-CG1 4.04Å; I96-V166 HydrophobicContact CD1-CG2 4.06Å; I96-V166 HydrophobicContact CG1-CG2 3.84Å; T106-V166 HydrophobicContact CG2-CG2 3.9Å; W107-V166 PolarHBondContact O-N 3.12Å
167	C	98.8	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	152.3	172.1	-56.4	0	0	0	0	110.8	W49 F57 R58 C73 M76 A78 N79	W49-C167 HydrophobicContact CH2-CB 3.8Å; W49-C167 HydrophobicContact CZ3-CB 3.99Å; F57-C167 CarbonylContact C-O 3.42Å; F57-C167 VanDerWaalsContact CA-O 3.28Å; F57-C167 WeakPolarHBondContact CA-O 3.21Å; R58-C167 PolarHBondContact N-O 2.77Å; R58-C167 PolarHBondContact O-N 3.22Å; C73-C167 WeakPolarHBondContact CA-SG 3.47Å; C73-C167 HydrophobicContact CB-CB 3.72Å; C73-C167 WeakPolarHBondContact CB-SG 3.43Å; C73-C167 VanDerWaalsContact SG-CA 3.51Å; C73-C167 WeakPolarHBondContact SG-CB 3.49Å; C73-C167 CovalentContact SG-SG 2.04Å; C73-C167 PolarHBondContact SG-SG 3.1Å; M76-C167 HydrophobicContact CE-CB 4.49Å; M76-C167 VanDerWaalsContact CE-SG 3.6Å; A78-C167 HydrophobicContact CB-CB 4.17Å; N79-C167 CarbonylContact O-C 3.08Å; N79-C167 WeakPolarHBondContact O-CA 3.06Å
168	V	98.5	Very high	96.1	Very high	3 Å²	3	53 Å²	53	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	145.3	173.1	74.7	0	0	0	0	112.7	R55 C56 F57 A78 N79 A81	R55-V168 HydrophobicContact CB-CG2 4.1Å; C56-V168 CarbonylContact O-C 3.6Å; C56-V168 VanDerWaalsContact O-CA 3.3Å; C56-V168 WeakPolarHBondContact O-CA 3.07Å; F57-V168 HydrophobicContact CD1-CB 3.94Å; F57-V168 HydrophobicContact CD1-CG2 3.65Å; F57-V168 HydrophobicContact CE1-CB 3.97Å; F57-V168 HydrophobicContact CE1-CG2 3.4Å; F57-V168 VanDerWaalsContact CE1-CG2 3.4Å; F57-V168 HydrophobicContact CE2-CG2 4.43Å; F57-V168 HydrophobicContact CG-CG2 4.29Å; F57-V168 HydrophobicContact CZ-CG2 3.84Å; A78-V168 WeakPolarHBondContact CA-O 3.34Å; A78-V168 WeakPolarHBondContact CB-O 3.02Å; N79-V168 PolarHBondContact N-O 3.19Å; N79-V168 PolarHBondContact O-N 3.28Å; A81-V168 HydrophobicContact CB-CB 4.22Å; A81-V168 HydrophobicContact CB-CG1 4.47Å
169	K	97.5	Very high	96.2	Very high	44 Å²	44	55.5 Å²	55.5	19%	0.191	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	166.8	166.2	60.5	-177.5	172.8	-173.8	0	111.3	W49 R55 C56 M76 G77 A78	W49-K169 HydrophobicContact CE3-CG 4.21Å; W49-K169 HydrophobicContact CH2-CD 4.22Å; W49-K169 HydrophobicContact CH2-CG 4.35Å; W49-K169 HydrophobicContact CZ2-CD 4.35Å; W49-K169 HydrophobicContact CZ3-CD 4.32Å; W49-K169 HydrophobicContact CZ3-CG 3.98Å; R55-K169 CarbonylContact C-O 3.56Å; R55-K169 WeakPolarHBondContact CA-O 2.95Å; C56-K169 HydrophobicContact CB-CG 3.97Å; C56-K169 PolarHBondContact N-O 3.01Å; C56-K169 PolarHBondContact O-N 2.98Å; M76-K169 PolarHBondContact O-NZ 2.9Å; G77-K169 WeakPolarHBondContact O-CB 3.27Å; A78-K169 HydrophobicContact CB-CB 3.95Å; A78-K169 HydrophobicContact CB-CD 4.34Å; A78-K169 HydrophobicContact CB-CG 4.39Å
170	R	95.6	Very high	96.2	Very high	214 Å²	214	57.1 Å²	57.1	81%	0.808	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	143.5	172.7	-65.8	-175.2	178.7	178.3	0	110.4
171	A	91.9	Very high	96.2	Very high	17 Å²	17	49.1 Å²	49.1	14%	0.14	23%	0.229	C	C	.	.			trans	-67.1	145.9	170	0	0	0	0	0	110.3	T43 G54 C56	T43-A171 HydrophobicContact CG2-CB 3.51Å; G54-A171 VanDerWaalsContact O-CB 3.32Å; G54-A171 WeakPolarHBondContact O-CB 3.41Å; G54-A171 PolarHBondContact O-N 2.8Å; C56-A171 VanDerWaalsContact SG-CA 3.57Å
172	T	81.9	Confident	96.1	Very high	88 Å²	88	47.2 Å²	47.2	54%	0.54	22%	0.221	S	C	.	.			trans	-97.8	0	-168.5	46.1	0	0	0	0	114.2	R41 T43 D44	R41-T172 PolarHBondContact NE-OXT 3.2Å; R41-T172 PolarHBondContact NH2-OXT 2.61Å; T43-T172 WeakPolarHBondContact CA-O 3.47Å; D44-T172 PolarHBondContact O-OG1 2.69Å; D44-T172 VanDerWaalsContact O-OG1 3.14Å

Retrieved 172 of 172 residues in 280.7 ms (Link to these results)

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